data_2csk_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 2csk _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 ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 32.1 p90 -155.38 124.43 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.449 HD22 ' CB ' ' A' ' 112' ' ' ALA . 4.2 tp -122.73 110.29 15.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -143.74 154.75 43.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -124.87 148.31 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.528 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 4.4 m-20 -113.32 146.15 39.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.405 HG13 ' CA ' ' A' ' 105' ' ' GLU . 4.3 mm -130.15 101.9 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -152.22 -175.16 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 10.5 t-20 65.17 63.83 1.07 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.4 Cg_endo -74.98 108.58 2.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -107.04 134.25 50.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -147.32 142.89 27.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.55 101.6 9.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 t -83.75 95.35 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -106.55 108.16 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.59 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.1 tmm? -98.55 154.81 17.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' SD ' ' A' ' 35' ' ' MET . 10.1 mtp180 -150.54 114.18 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.454 HG22 ' CD1' ' A' ' 42' ' ' PHE . 10.8 t -137.61 176.9 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.79 10.86 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.9 mt -79.79 155.42 75.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -75.0 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.615 HG13 ' CD1' ' A' ' 42' ' ' PHE . 6.8 pt -38.9 -43.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.615 ' CD1' HG13 ' A' ' 41' ' ' ILE . 79.5 m-85 -84.47 127.36 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -47.82 71.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 mt -94.35 145.32 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -82.93 -34.72 26.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HG3' ' CG ' ' A' ' 36' ' ' ARG . 2.0 tm-20 -147.82 142.49 26.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 7.9 p -156.8 147.06 21.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.6 p -121.47 128.5 52.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.321 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 127' ' ' LEU . 31.2 m -141.86 160.59 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -102.63 134.36 46.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 10.3 tpp180 -156.05 158.78 38.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -125.14 179.88 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -63.89 -54.57 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.99 -34.8 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 5.7 m-20 -65.38 -53.55 41.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CE1' ' CZ ' ' A' ' 126' ' ' PHE . 18.7 m-85 -49.5 -30.57 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -22.16 66.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -84.91 -36.7 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.513 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -72.15 -58.34 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -43.63 -53.55 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -53.81 -45.42 70.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.66 -22.13 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -92.27 -27.56 17.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.356 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.7 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.3 t -102.67 101.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 t -97.45 137.58 21.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.547 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.02 161.43 38.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.08 37.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 12.1 mt -88.84 140.09 29.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -74.98 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.8 m -43.31 -59.19 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -64.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mt -47.26 -47.1 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -56.8 -52.53 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.68 -60.46 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -57.34 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -41.91 -49.64 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -72.7 -53.24 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -41.49 -69.34 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.7 mt -43.18 -60.53 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.405 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.8 tt0 -39.95 -48.3 2.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.17 -50.93 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.547 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.2 t80 -51.36 -53.56 35.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 4.2 tp -65.07 -43.6 95.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.97 -36.92 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.19 -43.25 12.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -46.48 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.449 ' CB ' HD22 ' A' ' 11' ' ' LEU . . . -55.06 -40.95 70.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.63 -40.76 80.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.474 ' CE1' ' HG ' ' A' ' 116' ' ' LEU . 5.9 t-80 -49.36 132.59 17.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.778 . . . . 0.0 109.62 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.474 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 4.9 mt -59.68 -26.55 65.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.75 -41.57 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.461 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 65.0 mt-30 -53.36 -22.89 8.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -91.86 -35.57 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -49.17 141.64 8.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -44.81 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.1 p -45.23 -44.1 10.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 108.279 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.3 tp -50.29 -60.27 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.556 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 95.3 m-70 -54.17 -51.3 64.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.2 ttm -51.6 -34.48 37.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.651 ' CZ ' ' CE1' ' A' ' 56' ' ' PHE . 27.4 t80 -79.64 -10.84 59.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 28.2 mt -107.86 -90.82 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' LEU . 74.1 mt-30 -38.9 -63.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.96 138.68 57.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.444 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -87.03 -42.65 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.255 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -112.87 125.1 53.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 63.7 mt -77.73 147.46 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 134' ' ' ARG . 2.7 m-20 -117.97 83.0 1.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 133' ' ' ASP . 6.4 mtm180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.426 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 20.3 m-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 5.6 p90 -155.89 132.2 10.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.54 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 5.5 tp -127.88 107.88 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -134.93 160.35 38.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.72 140.23 46.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.03 142.06 46.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mt -135.89 101.3 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -152.14 -175.12 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 66.98 68.38 0.57 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.42 15.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -138.96 132.69 30.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.7 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.406 ' CG2' ' HG3' ' A' ' 50' ' ' ARG . 39.1 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.447 ' CD1' ' HG3' ' A' ' 101' ' ' ARG . 39.2 m-85 -148.28 145.52 28.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.04 100.41 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 t -85.89 92.01 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -102.76 100.76 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.42 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tmm? -93.26 153.38 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -148.2 115.3 6.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.519 HG23 ' CG ' ' A' ' 42' ' ' PHE . 10.9 t -135.79 161.4 35.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.428 ' ND2' ' CD2' ' A' ' 10' ' ' PHE . 1.6 p30 -123.16 27.98 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 9' ' ' ASN . 25.2 mt -104.18 153.43 38.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.01 -37.57 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.622 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.1 pt -37.72 -44.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CD1' HG13 ' A' ' 41' ' ' ILE . 79.4 m-85 -82.83 130.99 35.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -67.95 -50.21 57.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.18 148.65 22.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -39.86 15.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -148.2 142.78 26.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 t -156.43 170.09 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.7 p -135.63 128.21 30.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.308 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.6 m -143.37 171.67 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG3' ' CG2' ' A' ' 30' ' ' THR . 0.0 OUTLIER -108.98 112.16 24.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' NH2' HG13 ' A' ' 132' ' ' ILE . 16.6 mmt180 -121.67 128.39 51.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -97.07 159.37 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.501 ' CG ' ' HD3' ' A' ' 100' ' ' ARG . 39.9 t80 -54.09 -19.62 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -81.2 -49.07 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -46.57 -40.94 13.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CD2' HD23 ' A' ' 104' ' ' LEU . 38.9 m-85 -63.04 -44.15 96.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.94 -21.62 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 13.1 t90 -87.29 -37.95 16.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -55.14 22.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -49.89 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -44.14 -51.66 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.5 mm-40 -39.84 -35.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 111' ' ' ILE . 37.1 mt -82.38 -51.92 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.329 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.461 HG12 ' CB ' ' A' ' 116' ' ' LEU . 6.8 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.2 t -108.02 101.57 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 13.2 t -84.43 138.4 38.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.95 164.55 33.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.84 30.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.7 mt -86.53 149.58 49.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 96.62 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.5 t -53.73 -57.26 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -48.95 -54.6 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.6 mt -49.04 -68.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -40.99 -51.57 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.35 -59.32 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.501 ' HD3' ' CG ' ' A' ' 53' ' ' TYR . 8.1 ttm180 -64.59 -45.52 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HG3' ' CD1' ' A' ' 31' ' ' TYR . 6.7 ttp180 -53.25 -64.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -55.64 -41.38 73.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.76 -57.09 10.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.561 HD23 ' CD2' ' A' ' 56' ' ' PHE . 48.2 mt -53.51 -58.13 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.744 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -40.23 -47.73 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -59.8 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.565 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 9.1 t80 -43.05 -57.62 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.4 tp -61.52 -44.17 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -39.8 21.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -40.36 16.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -56.36 -48.51 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 114' ' ' HIS . . . -56.89 -62.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ALA . . . -37.6 -30.79 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 112' ' ' ALA . 4.9 t-80 -57.53 131.45 81.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.35 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.461 ' CB ' HG12 ' A' ' 69' ' ' ILE . 6.2 mt -61.64 -34.83 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -75.07 -48.59 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 59.1 mt-30 -44.41 -26.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -90.65 -38.78 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' ALA . 38.7 mm-40 -46.77 130.33 11.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -82.64 -21.82 34.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 12.0 p -69.0 -25.9 64.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 124' ' ' HIS . 9.3 tp -79.2 -59.8 2.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 123' ' ' LEU . 27.9 m-70 -39.57 -54.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -46.37 -55.4 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.455 ' HA ' ' CD1' ' A' ' 132' ' ' ILE . 33.2 t80 -40.56 -32.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.42 154.7 20.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 77.34 -54.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.07 111.5 11.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -50.19 -49.81 51.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.239 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -114.55 139.15 49.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 126' ' ' PHE . 4.8 mt -88.66 118.86 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -78.5 105.5 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 132' ' ' ILE . 21.9 mtt85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 4.5 p90 -150.77 122.72 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.552 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 4.7 tp -122.06 105.63 10.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -134.03 160.98 36.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.3 149.17 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -118.72 140.86 49.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mt -135.69 103.73 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.86 -176.67 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 68.78 65.08 0.55 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.46 125.78 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 2.7 m-85 -134.26 162.38 32.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.27 100.63 11.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.4 t -82.91 93.52 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.2 114.49 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.503 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.7 tmm? -106.41 153.64 21.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -145.52 113.71 6.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.434 HG21 ' CG ' ' A' ' 42' ' ' PHE . 13.6 t -136.34 167.04 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.435 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -130.18 21.51 5.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.1 mt -96.88 153.23 38.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.02 -37.94 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.605 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.2 pt -37.66 -43.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.605 ' CD1' HG13 ' A' ' 41' ' ' ILE . 77.3 m-85 -80.9 138.18 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -53.08 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.9 mt -97.14 151.84 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -87.56 -34.83 18.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -155.67 142.89 19.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 19.4 t -156.67 166.28 33.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.5 p -133.87 123.47 24.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.44 179.26 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.99 136.01 38.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -155.87 166.67 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' CZ ' ' CB ' ' A' ' 52' ' ' ARG . 4.4 mtp-105 -99.68 151.85 20.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' ASP . 8.5 t80 -41.43 -53.97 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' TYR . 4.0 m -37.45 -32.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' TYR . 67.1 t0 -51.93 -59.34 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.478 ' CD1' ' CZ ' ' A' ' 126' ' ' PHE . 51.9 m-85 -47.07 -45.8 22.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.8 -43.8 73.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -69.69 -25.12 63.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 107.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -78.12 -60.15 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 63' ' ' LEU . 30.8 tttm -43.13 -63.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' GLU . 37.4 t30 -43.07 -56.43 3.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -47.14 -34.3 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' A' ' 59' ' ' LEU . 14.0 mt -77.44 -33.15 54.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' ASN . 15.8 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.458 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.6 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -104.5 100.72 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.3 t -98.18 136.23 21.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.97 165.62 30.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 148.34 34.86 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.6 mt -93.38 144.14 27.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 63.7 5.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.759 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.58 -33.97 13.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.68 -52.61 24.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.4 mt -53.84 -49.28 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -50.88 64.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -39.81 14.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -78.52 -50.47 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -38.88 -65.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.05 -48.43 76.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -38.4 -58.2 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.457 HD21 ' CD2' ' A' ' 56' ' ' PHE . 79.3 mt -59.18 -57.12 14.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.16 -48.07 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.92 -52.79 62.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.555 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -49.48 -56.54 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 4.5 tp -61.83 -50.6 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.42 ' N ' HG23 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -42.54 -38.48 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.14 -41.72 13.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -55.16 -50.12 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.437 ' N ' ' CG2' ' A' ' 111' ' ' ILE . . . -50.48 -54.01 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.7 -37.65 2.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -54.84 132.15 66.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 109.632 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -47.48 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.458 ' CB ' HG12 ' A' ' 69' ' ' ILE . 5.4 mt -52.99 -36.66 60.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.3 -45.43 55.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 62.9 mt-30 -51.99 -21.7 3.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -92.09 -34.98 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -51.53 142.22 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -83.28 -45.75 13.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 22.8 p -44.28 -41.24 5.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.28 -55.37 29.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 127' ' ' LEU . 82.3 m-70 -46.48 -38.7 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.409 ' C ' ' N ' ' A' ' 127' ' ' LEU . 1.3 ttm -67.88 -54.32 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.478 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 36.6 t80 -41.89 -27.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 124' ' ' HIS . 3.2 mt -115.97 155.96 27.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 75.12 -55.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.31 136.35 42.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -71.27 -73.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -95.3 138.8 32.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.7 mt -88.3 139.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -97.74 126.66 43.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.546 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 22.2 p90 -151.01 129.4 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.479 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 5.4 tp -124.4 106.15 9.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -132.31 164.11 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.469 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.1 mt -135.83 157.72 38.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.66 132.45 49.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.68 98.73 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -152.4 -175.2 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t30 67.41 71.71 0.41 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 141.3 26.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -137.68 117.79 13.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -111.49 159.11 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.99 104.63 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.8 t -84.47 95.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -107.09 118.62 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.566 ' HE3' ' CD2' ' A' ' 42' ' ' PHE . 4.6 ttp -114.71 142.45 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -137.48 148.87 46.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.422 ' HB ' ' CD1' ' A' ' 11' ' ' LEU . 5.4 t -171.43 163.89 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.86 12.06 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.2 mt -82.71 155.35 68.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.02 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.621 HG13 ' CD1' ' A' ' 42' ' ' PHE . 9.1 pt -38.02 -45.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.621 ' CD1' HG13 ' A' ' 41' ' ' ILE . 85.1 m-85 -83.42 127.09 33.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -71.4 -41.53 69.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.96 140.77 31.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -77.02 -30.11 55.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.23 144.45 19.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 p -153.59 147.76 25.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 p -124.44 132.03 53.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 108.307 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.4 m -142.71 175.52 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -124.32 122.65 38.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 23.9 mmm180 -146.18 142.49 28.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.06 179.45 6.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -71.04 -29.96 66.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -34.72 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.595 ' OD2' ' CE1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -46.29 -55.76 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CD2' HD22 ' A' ' 104' ' ' LEU . 58.5 m-85 -48.15 -55.47 10.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -39.71 -47.73 2.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -58.45 -64.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -44.32 -45.08 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -59.28 -58.24 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -52.6 -37.9 59.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.58 -16.7 40.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' CD1' HD11 ' A' ' 111' ' ' ILE . 5.8 mt -98.35 -24.81 15.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.567 HG22 ' CE1' ' A' ' 114' ' ' HIS . 7.5 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.41 ' N ' HG21 ' A' ' 69' ' ' ILE . 81.4 t -96.0 100.47 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.8 t -86.93 136.66 33.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 157.74 42.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.442 1.759 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.72 31.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -86.54 147.6 44.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 70.14 5.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.59 -60.85 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.34 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.1 mt -48.99 -46.28 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.97 -49.46 76.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -57.36 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -62.82 -34.77 78.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -57.86 -56.51 20.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.263 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -66.44 -50.89 61.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.46 -64.85 1.46 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.559 HD22 ' CD2' ' A' ' 56' ' ' PHE . 55.3 mt -48.53 -56.33 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.88 -44.0 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -54.86 23.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.5 t80 -44.99 -56.22 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 3.9 tp -63.98 -47.32 91.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.05 -38.2 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.98 -41.98 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.429 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -56.6 -50.84 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.425 ' N ' ' CG2' ' A' ' 111' ' ' ILE . . . -55.15 -58.36 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.5 -40.39 0.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.567 ' CE1' HG22 ' A' ' 69' ' ' ILE . 5.6 t-80 -51.01 131.52 30.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.601 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.1 Cg_endo -75.01 -44.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' A' ' 69' ' ' ILE . 8.8 mt -58.57 -33.51 70.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.96 -41.81 61.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 70.2 mt-30 -55.73 -19.5 11.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -91.46 -35.91 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -49.36 137.2 14.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -84.56 -19.84 32.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -55.67 19.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 108.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -51.44 -60.96 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -39.63 -33.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.4 OUTLIER -69.27 -62.81 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.595 ' CE1' ' OD2' ' A' ' 55' ' ' ASP . 2.5 t80 -36.47 -31.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 125' ' ' MET . 0.3 OUTLIER -110.46 160.23 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 127' ' ' LEU . 77.1 mt-30 73.4 -56.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.32 118.34 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.43 -49.03 73.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -123.06 129.09 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 126' ' ' PHE . 57.8 mt -74.89 126.64 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' ARG . 56.1 m-20 -91.92 82.22 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 133' ' ' ASP . 8.1 mtm180 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 17.0 p90 -151.76 122.37 7.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' CD2' ' HB1' ' A' ' 112' ' ' ALA . 3.9 tp -124.75 106.64 10.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -130.97 163.32 27.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.483 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.2 mt -134.01 159.89 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' N ' HG21 ' A' ' 13' ' ' ILE . 2.6 m-20 -130.8 146.94 52.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mt -137.01 101.54 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 32' ' ' GLU . 47.4 p90 -152.28 -172.73 4.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.3 t-20 64.79 61.31 1.33 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -74.96 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -96.62 134.85 39.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -149.69 135.86 18.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 3.2 mp0 -77.4 104.35 7.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 t -84.21 98.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -108.55 118.96 38.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.555 ' HE2' ' CD2' ' A' ' 42' ' ' PHE . 4.0 ttp -114.21 142.55 46.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.5 ptt180 -132.52 149.93 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.424 HG23 ' CG ' ' A' ' 42' ' ' PHE . 3.4 t -173.82 168.81 4.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -129.98 13.63 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.9 mt -84.03 156.74 63.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.0 -38.28 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.78 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.62 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.1 pt -38.62 -44.9 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.62 ' CD1' HG13 ' A' ' 41' ' ' ILE . 83.0 m-85 -84.31 133.14 34.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.78 -50.67 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.82 135.12 33.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -72.16 -29.18 63.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -164.71 142.05 6.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -156.83 164.49 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.79 147.71 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' CG1' ' O ' ' A' ' 128' ' ' GLN . 26.2 m -148.7 163.87 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -122.9 116.87 24.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -147.83 143.27 27.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.417 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -70.05 156.58 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.283 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -47.04 -39.56 13.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -19.58 5.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' CE2' ' A' ' 126' ' ' PHE . 5.5 p-10 -62.81 -37.13 85.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.541 ' CD2' HD23 ' A' ' 104' ' ' LEU . 41.3 m-85 -69.86 -34.57 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 5.4 mt-10 -67.01 -21.63 65.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.57 ' CZ3' HD12 ' A' ' 132' ' ' ILE . 33.3 t90 -87.66 -44.87 10.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.55 HD22 ' CE2' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.09 -52.36 64.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -51.63 -68.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.15 -44.13 7.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.43 ' CG ' ' SG ' ' A' ' 122' ' ' CYS . 0.0 OUTLIER -45.13 -34.28 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.478 ' CD1' HD13 ' A' ' 111' ' ' ILE . 27.1 mt -77.2 -55.52 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.536 HG23 ' CE1' ' A' ' 114' ' ' HIS . 16.0 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.9 t -85.97 101.24 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.42 HG22 ' CD1' ' A' ' 63' ' ' LEU . 20.8 t -99.27 138.47 20.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.5 Cg_endo -74.99 164.82 32.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.798 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 145.66 31.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.429 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 29.1 mt -85.53 151.26 55.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 61.87 5.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -52.37 19.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLU . 47.4 t80 -49.15 -67.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.8 mt -40.82 -55.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -45.34 -43.56 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -54.76 -65.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -57.38 -51.75 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -66.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.73 -48.35 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -47.09 -51.13 14.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.552 1.158 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.541 HD23 ' CD2' ' A' ' 56' ' ' PHE . 88.9 mt -62.79 -54.47 38.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -50.18 26.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -60.97 -53.79 52.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.0 t80 -45.58 -57.99 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.415 ' CG1' HD13 ' A' ' 13' ' ' ILE . 3.5 tp -63.24 -48.85 85.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -43.1 -35.69 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.71 -43.04 10.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.478 HD13 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -54.31 -48.68 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.468 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -54.78 -57.68 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.02 -36.79 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.536 ' CE1' HG23 ' A' ' 69' ' ' ILE . 5.0 t-80 -47.99 133.81 11.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.26 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.409 ' CB ' ' CD1' ' A' ' 69' ' ' ILE . 7.2 mt -63.07 -28.4 70.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.13 -47.21 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 70.5 mt-30 -49.05 -23.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.48 -42.57 12.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -54.56 129.33 35.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -81.32 -25.27 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.43 ' SG ' ' CG ' ' A' ' 62' ' ' GLU . 26.3 p -59.66 -24.25 63.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.86 -48.87 42.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.59 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 41.3 m-70 -60.04 -52.91 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.61 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.1 ttm -49.94 -33.23 16.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.55 ' CE2' HD22 ' A' ' 59' ' ' LEU . 32.9 t80 -77.96 -16.14 58.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 128' ' ' GLN . 36.9 mt -103.19 -93.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 127' ' ' LEU . 74.6 mt-30 -36.23 -67.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.46 142.02 53.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.12 -72.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.04 124.16 30.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.57 HD12 ' CZ3' ' A' ' 58' ' ' TRP . 26.6 mt -74.48 115.41 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 134' ' ' ARG . 39.2 t70 -79.35 80.49 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 133' ' ' ASP . 4.6 mtt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.28 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.4 p90 -154.79 124.21 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' A' ' 112' ' ' ALA . 7.0 tp -127.98 105.17 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -130.99 159.93 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.467 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.1 mt -135.98 132.76 50.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -103.51 141.89 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 mt -128.91 101.47 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -151.85 -174.9 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.7 m-20 63.46 64.0 1.46 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.1 Cg_endo -74.98 117.45 4.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.46 142.09 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.9 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -150.51 136.77 18.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.96 101.14 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 t -81.17 104.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -108.34 100.04 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.552 ' HE1' ' CD2' ' A' ' 42' ' ' PHE . 5.4 ttp -94.95 144.31 25.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.2 ttt180 -143.13 139.62 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 t -166.68 169.44 13.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -124.38 8.86 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.8 mt -74.93 152.95 86.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.03 -37.73 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.425 1.75 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.619 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.3 pt -37.98 -44.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.619 ' CD1' HG13 ' A' ' 41' ' ' ILE . 82.5 m-85 -83.26 139.85 32.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -80.06 -41.13 26.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mt -103.29 146.73 28.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -82.83 -34.8 26.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.7 148.29 34.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.4 p -156.43 159.79 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.7 m -136.02 117.23 14.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.2 m -139.13 160.51 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.26 121.95 43.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HD3' ' CB ' ' A' ' 55' ' ' ASP . 2.0 mmt85 -125.38 138.43 54.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -90.12 160.66 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.514 ' CG ' ' HD3' ' A' ' 100' ' ' ARG . 10.0 t80 -60.78 -27.87 68.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -41.64 23.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.442 ' CB ' ' HD3' ' A' ' 51' ' ' ARG . 76.8 m-20 -45.01 -41.12 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CD2' HD21 ' A' ' 104' ' ' LEU . 41.7 m-85 -62.31 -41.22 98.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -55.54 -24.94 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.403 ' CH2' HG23 ' A' ' 132' ' ' ILE . 52.9 t90 -79.68 -45.17 19.48 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.493 HD23 ' CG ' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -65.77 -54.94 20.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -41.74 -51.43 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' GLU . 51.0 t30 -60.32 -49.18 78.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.91 -24.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.9 mt -90.3 -32.2 16.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 61' ' ' ASN . 3.1 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 116' ' ' LEU . 4.8 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.0 t -102.81 114.72 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.3 t -107.4 138.11 19.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.99 162.41 37.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.18 31.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 18.7 mt -78.9 144.87 64.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 97.66 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.47 1.774 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.32 -51.8 24.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.11 -54.68 27.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.9 mt -58.13 -61.08 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -53.57 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.27 -58.42 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' HD3' ' CG ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -63.84 -49.95 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -41.83 -69.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -59.15 -46.82 87.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -44.81 -68.16 0.99 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 111.006 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 56' ' ' PHE . 43.8 mt -48.33 -46.66 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.41 -55.74 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -45.85 84.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.558 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.0 t80 -54.62 -59.56 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 4.3 tp -61.99 -41.54 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.92 -42.61 37.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -40.52 19.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -55.33 -50.59 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.46 ' CB ' HD21 ' A' ' 11' ' ' LEU . . . -52.84 -49.65 65.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -48.96 -22.19 2.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 115' ' ' PRO . 7.9 t-80 -69.89 135.06 87.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.4 Cg_endo -74.97 -53.67 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 69' ' ' ILE . 8.3 mt -47.45 -40.9 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.31 59.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 50.9 mt-30 -52.38 -27.27 15.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -35.45 18.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -56.42 145.39 27.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -85.17 -32.03 22.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 123' ' ' LEU . 22.5 p -54.13 -43.19 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.42 ' N ' ' SG ' ' A' ' 122' ' ' CYS . 7.8 tp -65.4 -61.61 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -41.74 -54.86 3.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.62 -53.02 52.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.505 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 28.8 t80 -44.16 -26.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.04 160.15 19.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 72.25 -56.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -72.53 118.35 15.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -46.39 -59.26 3.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -116.07 171.21 7.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 133' ' ' ASP . 33.8 mt -108.99 146.71 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 132' ' ' ILE . 0.9 OUTLIER -107.13 81.75 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 133' ' ' ASP . 5.8 mtm180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.451 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 5.0 m120 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.2 p90 -158.14 125.12 4.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.542 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 4.5 tp -127.62 109.03 11.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -134.0 161.03 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.2 mt -136.38 151.96 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.13 146.18 47.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.412 ' N ' ' HG3' ' A' ' 105' ' ' GLU . 1.7 mt -138.43 101.48 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -151.98 -173.88 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t30 70.3 65.48 0.45 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 103.06 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -113.65 138.32 50.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -93.04 150.57 20.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.78 115.94 17.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 t -97.38 115.68 37.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.77 100.99 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.571 ' HE1' ' CD2' ' A' ' 42' ' ' PHE . 5.0 ttp -97.38 143.89 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.0 OUTLIER -139.16 144.27 38.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.474 HG21 ' CD1' ' A' ' 42' ' ' PHE . 3.3 t -173.69 161.9 3.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -123.3 14.22 9.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 9' ' ' ASN . 22.8 mt -81.34 154.74 71.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.04 -37.63 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.619 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.4 pt -38.17 -44.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.619 ' CD1' HG13 ' A' ' 41' ' ' ILE . 79.7 m-85 -83.16 135.23 34.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -74.76 -47.71 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mt -95.01 139.53 31.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -79.91 -27.79 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -161.45 142.29 11.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.23 170.7 21.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.449 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 18.9 p -128.26 132.41 48.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 48' ' ' CYS . 28.8 m -156.23 168.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -129.27 144.58 51.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.3 mmt-85 -139.89 168.07 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -120.37 157.52 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -49.2 -26.65 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.76 -47.39 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.58 -46.65 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.541 ' CD2' HD21 ' A' ' 104' ' ' LEU . 29.6 m-85 -55.25 -40.95 71.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -59.92 -39.49 85.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.451 ' C ' ' CE3' ' A' ' 58' ' ' TRP . 5.0 t90 -70.48 -24.81 62.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 107.955 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.7 OUTLIER -80.03 -57.02 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' LEU . 21.6 tttm -50.73 -62.56 1.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -47.58 -37.81 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.39 -33.83 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.341 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.439 HD12 ' CD1' ' A' ' 111' ' ' ILE . 1.3 mt -85.88 -13.06 49.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 116' ' ' LEU . 5.3 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.7 t -103.89 101.57 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 6.0 t -90.99 137.56 26.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -74.98 158.82 42.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.8 39.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.429 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 17.8 mt -88.29 146.94 39.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.18 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -49.99 -58.18 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -46.46 -51.54 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.26 -60.05 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -51.9 60.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.77 -59.6 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -60.48 -52.56 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -63.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.64 -45.94 81.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.06 -64.1 3.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 56' ' ' PHE . 79.8 mt -47.31 -56.87 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 1.4 tt0 -44.55 -42.77 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -54.74 18.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.567 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.6 t80 -43.24 -58.7 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 4.1 tp -61.86 -49.14 85.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' CG2' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -43.09 -35.28 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -91.11 -43.89 9.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.439 ' CD1' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -54.14 -43.77 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.454 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -61.18 -44.57 97.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.89 -33.43 50.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.52 132.76 77.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.591 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -45.44 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.523 1.802 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.468 ' CB ' HG12 ' A' ' 69' ' ' ILE . 8.5 mt -57.41 -31.75 66.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.2 -44.91 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.449 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 68.5 mt-30 -53.11 -25.65 13.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.57 -33.07 17.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -57.7 136.46 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -21.45 29.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 17.5 p -65.82 -40.81 92.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.95 -61.42 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 125' ' ' MET . 74.6 m-70 -39.57 -58.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 124' ' ' HIS . 1.0 OUTLIER -37.45 -58.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.503 ' CG ' HD22 ' A' ' 59' ' ' LEU . 26.4 t80 -38.13 -34.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 124' ' ' HIS . 0.3 OUTLIER -112.45 164.46 13.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 71.41 -56.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.352 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 126.6 28.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.34 -51.98 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -134.66 -175.56 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 126' ' ' PHE . 16.3 mm -95.08 110.4 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -84.69 113.01 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 41.5 p90 -150.71 129.62 12.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.558 1.161 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tp -127.78 108.68 10.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.7 164.17 27.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -137.27 158.24 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -133.9 142.46 47.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mt -139.29 99.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -152.39 -174.24 4.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 7.3 t30 69.88 64.16 0.5 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.98 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.66 131.55 55.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.408 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.46 HG21 ' CD ' ' A' ' 50' ' ' ARG . 1.4 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -150.56 142.13 23.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.96 94.52 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.416 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 45.2 t -77.65 91.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -109.96 128.85 55.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.703 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.1 tmm? -117.98 153.44 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 7.4 ptm180 -139.65 120.03 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.432 HG23 ' CG ' ' A' ' 42' ' ' PHE . 7.0 t -148.5 165.68 30.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -129.38 12.22 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.0 mt -82.93 154.69 67.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -37.3 2.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.607 HG13 ' CD1' ' A' ' 42' ' ' PHE . 7.8 pt -38.91 -44.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.703 ' CD2' ' CE ' ' A' ' 35' ' ' MET . 78.4 m-85 -82.41 129.09 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -47.87 55.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mt -92.25 149.61 21.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -90.02 -39.85 12.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.09 134.81 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -156.76 168.32 27.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.9 p -136.21 153.37 51.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 108.289 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.416 ' CG2' ' HB ' ' A' ' 33' ' ' VAL . 31.9 m -152.3 164.77 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.46 ' CD ' HG21 ' A' ' 30' ' ' THR . 15.2 ttt180 -115.35 115.96 27.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.401 ' NE ' ' OD2' ' A' ' 55' ' ' ASP . 21.1 mmm180 -147.44 161.83 40.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -102.23 179.16 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.96 -38.89 92.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -36.61 47.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.402 ' CG ' ' CE1' ' A' ' 126' ' ' PHE . 42.1 t0 -49.45 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.537 ' CD1' HD21 ' A' ' 104' ' ' LEU . 89.1 m-85 -37.98 -50.65 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.65 -49.13 38.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 75.3 t90 -58.79 -55.77 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.544 HD23 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -51.94 -52.49 49.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -49.45 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 64' ' ' GLU . 6.0 t-20 -45.95 -47.83 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -40.96 -30.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 111' ' ' ILE . 33.0 mt -81.2 -48.03 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.2 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.521 HG21 ' CE1' ' A' ' 114' ' ' HIS . 9.6 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.404 ' N ' HG23 ' A' ' 69' ' ' ILE . 71.1 t -94.33 100.97 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.5 t -90.64 137.46 27.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.04 162.57 36.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.96 29.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.55 148.8 36.14 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -52.2 65.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -49.75 -53.58 24.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.7 mt -54.94 -63.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -42.9 -54.04 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.69 -58.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -65.72 -48.3 72.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -40.86 -66.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.45 -47.63 81.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.16 -57.28 2.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.537 HD21 ' CD1' ' A' ' 56' ' ' PHE . 20.9 mt -56.78 -60.68 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.8 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.08 -47.77 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.51 -49.82 76.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.565 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.0 t80 -56.62 -57.54 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.473 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 9.4 tp -59.29 -37.21 67.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -59.53 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -62.26 -50.95 69.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.0 -37.01 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 108' ' ' ILE . . . -60.72 -60.51 3.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.28 -35.62 1.88 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.521 ' CE1' HG21 ' A' ' 69' ' ' ILE . 5.5 t-80 -46.5 131.65 8.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.39 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 mt -62.09 -33.74 75.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.76 -45.52 28.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 39.0 mt-30 -46.68 -24.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.21 -42.19 11.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -46.87 136.05 8.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.79 -27.06 22.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 30.1 p -60.09 -20.7 59.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.334 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.99 -54.73 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.687 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 94.8 m-70 -56.79 -52.66 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -47.06 -42.42 18.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.544 ' CD2' HD23 ' A' ' 59' ' ' LEU . 18.0 t80 -69.21 -21.92 63.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 124' ' ' HIS . 58.9 mt -95.54 -92.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 127' ' ' LEU . 80.5 mt-30 -37.43 -68.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.24 146.16 44.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -87.51 -67.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.07 124.79 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 133' ' ' ASP . 10.2 mt -84.11 159.27 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.43 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 21.2 t0 -124.7 128.86 49.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.441 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 16.7 p90 -145.87 128.38 16.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.477 HD21 ' CB ' ' A' ' 112' ' ' ALA . 9.5 tp -126.89 105.07 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -131.18 163.5 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.484 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.75 139.7 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -109.75 140.47 43.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.476 ' CG1' ' HG3' ' A' ' 105' ' ' GLU . 1.4 mm -127.77 99.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 17' ' ' ASN . 47.5 p90 -152.73 -174.71 5.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.405 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 7.8 t-20 69.17 64.63 0.54 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.05 143.57 29.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -147.96 119.2 7.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD2' ' HG3' ' A' ' 101' ' ' ARG . 60.8 m-85 -115.76 155.74 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.49 106.32 17.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.0 t -84.09 92.61 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -98.71 101.87 13.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.544 ' HE2' ' CD2' ' A' ' 42' ' ' PHE . 4.9 ttp -96.45 143.33 27.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.44 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.4 OUTLIER -139.33 146.39 40.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 11' ' ' LEU . 4.9 t -173.59 165.53 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -123.61 15.33 9.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.1 mt -82.16 153.9 69.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -37.75 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.761 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.614 HG13 ' CD1' ' A' ' 42' ' ' PHE . 9.4 pt -38.2 -45.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.614 ' CD1' HG13 ' A' ' 41' ' ' ILE . 83.1 m-85 -82.39 136.37 34.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -76.25 -45.97 30.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -97.65 149.05 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -82.97 -36.02 25.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -151.49 143.42 23.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 p -154.87 142.95 20.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.0 m -110.41 119.58 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.3 m -133.02 -177.2 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -131.62 119.02 20.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.525 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -131.5 126.56 35.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 179.69 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -74.5 -32.5 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -67.53 -37.2 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 37.4 m-20 -54.13 -52.33 61.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CD2' HD23 ' A' ' 104' ' ' LEU . 27.0 m-85 -50.94 -45.49 60.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.93 -30.2 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.477 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 24.0 t90 -82.09 -42.85 18.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.517 HD23 ' CG ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -59.95 -55.3 35.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -46.34 -64.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 64' ' ' GLU . 8.0 t30 -47.46 -48.52 26.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -43.71 -45.49 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.446 ' CD1' HD13 ' A' ' 111' ' ' ILE . 51.4 mt -64.44 -38.2 90.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' ASN . 28.7 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.0 t -81.57 103.19 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 16.7 t -108.8 138.1 20.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.524 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.08 161.79 37.98 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.13 33.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.2 mt -87.31 148.46 44.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 114.09 3.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.019 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -25.29 65.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.48 -57.89 3.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.91 -42.11 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -56.17 24.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -59.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -52.05 67.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.452 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 18.6 ttp180 -40.5 -68.49 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -52.59 -53.57 44.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.78 -69.78 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.571 HD23 ' CD2' ' A' ' 56' ' ' PHE . 83.8 mt -47.47 -59.57 3.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.476 ' HG3' ' CG1' ' A' ' 15' ' ' ILE . 6.5 tt0 -42.03 -51.1 4.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -53.75 54.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.524 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.9 t80 -51.47 -59.45 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.421 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 5.4 tp -58.84 -40.18 79.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.81 -48.1 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -38.45 55.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.446 HD13 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -57.56 -51.84 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.477 ' CB ' HD21 ' A' ' 11' ' ' LEU . . . -53.47 -59.54 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.97 -37.28 0.97 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -52.19 132.3 41.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.747 . . . . 0.0 109.576 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.9 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.38 -37.84 57.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -71.32 -49.3 43.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.438 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 59.9 mt-30 -47.97 -24.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.21 -34.94 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 56.7 mm-40 -54.07 140.29 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -85.09 -40.16 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 7.6 p -47.94 -46.12 31.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 108.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.87 -57.2 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 127' ' ' LEU . 19.9 m-70 -41.87 -41.11 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.7 OUTLIER -61.33 -58.43 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.525 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 11.2 t80 -37.19 -32.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 125' ' ' MET . 4.8 mt -111.87 163.12 14.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 70.79 -57.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.84 151.01 47.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.407 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 11.8 tp10 -86.55 -69.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -103.89 129.05 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.21 131.52 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 134' ' ' ARG . 12.2 m-20 -91.74 29.22 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 133' ' ' ASP . 13.9 mtt180 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 17.5 p90 -156.19 124.83 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' ' 112' ' ' ALA . 7.0 tp -124.1 106.02 10.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -132.11 163.31 28.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.473 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.48 154.67 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -125.57 140.29 52.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mt -130.75 102.21 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -151.65 -174.97 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t30 62.66 69.08 0.93 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.373 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 131.77 14.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -132.18 124.22 28.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.4 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -150.88 163.89 37.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.32 94.17 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.0 t -80.59 94.68 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -102.19 100.74 10.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.352 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.567 ' HE1' ' CD2' ' A' ' 42' ' ' PHE . 4.1 ttp -93.6 143.82 25.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.4 ttt180 -138.25 141.5 39.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.436 ' HB ' ' CD1' ' A' ' 11' ' ' LEU . 5.1 t -168.99 171.68 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -131.35 12.69 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.4 mt -79.04 153.79 77.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -74.98 -37.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.617 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.4 pt -37.94 -44.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CD1' HG13 ' A' ' 41' ' ' ILE . 80.7 m-85 -83.04 139.02 33.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -78.0 -51.66 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.7 mt -93.81 137.09 33.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -67.16 -45.17 77.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.23 143.44 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.93 169.15 23.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.1 p -120.81 128.6 53.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.1 m -136.57 -176.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -134.78 110.19 9.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 14.8 mmp_? -113.09 147.95 36.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.7 152.31 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -42.56 -35.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 m -68.8 -50.15 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -44.18 -55.43 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 126' ' ' PHE . 57.7 m-85 -47.2 -47.28 24.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.92 -46.69 71.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.516 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 38.1 t90 -63.1 -32.76 74.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.508 ' HB2' ' CD1' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -70.85 -56.43 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -44.62 -65.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' GLU . 1.3 t-20 -50.74 -53.05 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.516 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 15.5 mm-40 -43.85 -31.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 59' ' ' LEU . 6.6 mt -80.92 -43.15 20.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' ASN . 1.9 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.423 HG23 ' CE1' ' A' ' 114' ' ' HIS . 5.6 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.406 ' HB ' ' NE2' ' A' ' 114' ' ' HIS . 70.4 t -81.93 101.2 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.447 ' CG1' ' HD2' ' A' ' 72' ' ' PRO . 39.5 t -111.71 140.4 23.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.0 166.15 29.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.792 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.25 31.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.48 149.25 42.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 106.33 2.25 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -54.45 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -57.5 -47.98 80.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.1 mt -57.91 -60.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -46.44 -53.89 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -63.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -54.13 -55.33 28.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -42.24 -65.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -54.44 -50.88 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -41.95 -69.57 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.469 HD23 ' CD2' ' A' ' 56' ' ' PHE . 34.0 mt -48.01 -51.65 23.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.07 -55.19 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -47.93 83.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 12.9 t80 -52.6 -59.54 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.1 tp -61.2 -40.16 84.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -42.07 61.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -37.95 21.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -58.15 -51.83 66.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.475 ' CB ' HD23 ' A' ' 11' ' ' LEU . . . -48.3 -56.8 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.7 -32.06 0.82 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.423 ' CE1' HG23 ' A' ' 69' ' ' ILE . 8.3 t-80 -56.96 132.12 79.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 109.598 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.9 mt -51.21 -40.61 59.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.9 69.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.231 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 53.6 mt-30 -52.37 -21.22 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -92.97 -42.99 9.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -46.01 146.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -34.22 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 11.5 p -53.04 -35.59 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.7 tp -73.82 -56.58 4.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 127' ' ' LEU . 17.9 m-70 -40.74 -48.08 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -52.5 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 59' ' ' LEU . 13.4 t80 -38.16 -34.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 124' ' ' HIS . 3.4 mt -113.88 158.46 21.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 76.51 -55.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.24 150.15 38.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -79.88 -70.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.231 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.06 133.28 45.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 133' ' ' ASP . 49.0 mt -77.65 163.95 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.487 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 1.1 m-20 -127.97 114.34 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.452 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 21.9 p90 -147.17 124.83 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' A' ' 112' ' ' ALA . 3.8 tp -121.61 108.81 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -132.63 162.08 32.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.478 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.59 149.88 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.7 131.2 53.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.7 99.55 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -152.52 -174.96 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 69.33 66.67 0.47 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 131.97 14.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -135.65 116.48 14.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.8 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.377 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.467 HG22 ' CD ' ' A' ' 50' ' ' ARG . 60.3 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -149.52 153.77 37.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.12 99.82 7.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.2 t -80.95 98.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -108.55 99.9 9.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.571 ' HE1' ' CD2' ' A' ' 42' ' ' PHE . 4.1 ttp -93.15 143.73 25.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -134.17 140.06 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 t -169.64 163.04 10.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -127.33 17.13 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.8 mt -83.8 155.76 64.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.5 Cg_endo -74.96 -38.56 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.63 HG13 ' CD1' ' A' ' 42' ' ' PHE . 7.9 pt -38.59 -44.77 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.63 ' CD1' HG13 ' A' ' 41' ' ' ILE . 84.4 m-85 -84.87 137.77 32.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -82.68 -45.44 14.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -92.37 143.52 26.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -81.99 -42.39 19.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 1.6 tm-20 -151.32 141.75 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.88 169.62 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.461 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 29.6 p -136.54 146.46 46.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 108.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 48' ' ' CYS . 35.6 m -156.31 -179.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.468 ' O ' ' CZ ' ' A' ' 51' ' ' ARG . 3.2 ttt180 -109.79 116.88 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' CZ ' ' O ' ' A' ' 50' ' ' ARG . 14.4 mmp_? -129.81 141.89 50.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' NH2' ' OD2' ' A' ' 55' ' ' ASP . 7.9 mtm180 -110.9 156.18 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -51.0 -27.15 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 t -74.65 -46.76 35.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' OD2' ' NH2' ' A' ' 52' ' ' ARG . 89.6 m-20 -48.29 -48.25 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -53.71 -49.33 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -49.12 -49.73 40.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.595 ' CZ3' ' SG ' ' A' ' 122' ' ' CYS . 30.9 t90 -55.23 -53.45 55.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.046 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.508 HD23 ' CG ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -56.77 -53.51 56.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.446 ' CG ' HG13 ' A' ' 71' ' ' VAL . 4.9 tttt -46.06 -58.08 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' GLU . 17.7 t30 -50.76 -53.44 31.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -45.88 -31.57 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 120' ' ' GLU . 46.1 mt -81.57 -36.19 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.4 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -100.51 101.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.446 HG13 ' CG ' ' A' ' 60' ' ' LYS . 59.4 t -96.14 140.66 22.35 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.489 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.05 158.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.61 30.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.421 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 14.9 mt -86.77 142.35 34.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 86.79 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -47.58 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -51.86 68.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 53.3 mt -49.56 -48.98 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.09 -60.4 3.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -42.0 -56.23 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -63.4 -55.2 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.268 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.0 ttp-105 -48.13 -67.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.12 -46.96 86.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . -45.14 -53.41 7.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.6 mt -58.84 -54.24 49.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.407 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.7 OUTLIER -45.02 -43.25 9.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -53.58 46.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.489 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -50.24 -55.08 16.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 5.0 tp -62.7 -43.07 98.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -47.78 -40.33 20.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -85.74 -42.53 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.468 HD12 ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -54.1 -46.59 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' A' ' 11' ' ' LEU . . . -55.12 -62.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.76 -34.0 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -55.71 126.84 65.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.618 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -43.53 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.59 -27.94 65.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -83.47 -44.45 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.454 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 48.9 mt-30 -51.3 -23.05 3.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -89.41 -35.2 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.47 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 65.2 mm-40 -53.57 135.77 39.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -74.56 -40.38 61.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.595 ' SG ' ' CZ3' ' A' ' 58' ' ' TRP . 53.5 t -45.25 -52.73 9.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.13 -55.19 38.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' LEU . 12.7 m-70 -45.45 -49.05 13.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.625 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' LEU . 1.4 ttm -63.0 -57.61 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.508 ' CG ' HD23 ' A' ' 59' ' ' LEU . 26.9 t80 -37.84 -30.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 125' ' ' MET . 2.7 mt -112.26 153.99 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 75.22 -55.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.19 144.77 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -83.62 -68.97 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.352 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.43 133.21 35.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 126' ' ' PHE . 30.1 mt -98.4 150.73 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.412 ' N ' HG22 ' A' ' 132' ' ' ILE . 62.3 m-20 -113.07 112.94 24.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 5.7 p90 -150.3 124.21 9.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.55 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 7.0 tp -121.26 102.69 8.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -135.08 160.08 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.08 153.4 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -118.2 140.08 50.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mm -128.3 99.22 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -153.1 -174.35 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.413 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 68.85 64.22 0.57 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.4 Cg_endo -74.98 92.36 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -96.02 143.38 27.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.41 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.42 ' CG2' ' HG3' ' A' ' 50' ' ' ARG . 1.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.541 ' CE1' ' HG3' ' A' ' 101' ' ' ARG . 92.8 m-85 -99.49 147.04 25.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.39 97.3 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.68 91.39 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -106.48 122.34 46.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.588 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.7 tmm? -107.65 153.0 23.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -142.58 110.37 5.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.442 HG21 ' CG ' ' A' ' 42' ' ' PHE . 13.0 t -133.98 172.73 12.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -136.81 16.16 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.09 157.02 46.11 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -74.98 -37.97 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.623 HG13 ' CD1' ' A' ' 42' ' ' PHE . 7.7 pt -38.44 -44.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.702 ' CE2' ' CE1' ' A' ' 124' ' ' HIS . 79.8 m-85 -84.33 127.43 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -73.65 -44.47 56.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -92.0 139.45 30.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -75.94 -33.18 59.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -168.0 143.04 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.2 171.04 19.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.4 m -131.46 144.73 51.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 128' ' ' GLN . 15.6 m -146.09 164.06 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.42 ' HG3' ' CG2' ' A' ' 30' ' ' THR . 6.1 ttp180 -106.18 110.74 23.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' NH2' ' HB2' ' A' ' 55' ' ' ASP . 27.4 mmm180 -148.81 135.62 19.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -89.14 -179.55 5.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 1.5 t80 -62.02 -36.93 83.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -41.93 78.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.6 ' OD2' ' CE1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -48.9 -59.56 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.46 ' N ' ' CG ' ' A' ' 55' ' ' ASP . 62.6 m-85 -42.19 -46.79 4.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -42.7 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.576 ' CZ3' HG22 ' A' ' 132' ' ' ILE . 25.8 t90 -65.61 -44.35 86.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 108.004 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -58.63 -51.58 69.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -49.92 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' GLU . 8.3 t30 -46.51 -51.41 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.475 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 5.6 mm-40 -41.17 -29.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 111' ' ' ILE . 29.1 mt -82.78 -46.48 13.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.5 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.351 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.56 HG23 ' CE1' ' A' ' 114' ' ' HIS . 7.9 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.2 t -90.33 100.52 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.1 t -93.27 134.86 26.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.94 163.3 35.71 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.18 32.26 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.464 1.77 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.1 mt -93.43 151.64 40.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.83 2.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.76 -59.36 4.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -48.69 -43.88 37.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.2 mt -60.72 -59.76 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -51.34 54.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -62.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -60.51 -38.52 84.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.357 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 4.1 ttp180 -56.55 -70.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -55.28 -46.38 76.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.62 -60.01 5.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.9 mt -54.02 -61.97 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.99 -49.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -56.83 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.561 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.3 t80 -47.37 -57.57 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.462 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 3.5 tp -61.26 -40.17 85.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -44.83 64.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -39.33 33.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -57.29 -51.5 68.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.449 ' N ' ' CG2' ' A' ' 111' ' ' ILE . . . -53.16 -54.47 35.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -40.89 -38.68 1.71 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.424 1.078 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.56 ' CE1' HG23 ' A' ' 69' ' ' ILE . 6.5 t-80 -50.09 134.39 22.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 109.56 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 69' ' ' ILE . 7.1 mt -57.8 -37.75 74.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.16 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 69.0 mt-30 -47.41 -24.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -91.71 -38.63 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -50.26 139.74 14.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -86.31 -44.57 11.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 23.2 p -43.24 -38.44 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.242 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.27 -60.75 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.702 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 99.1 m-70 -51.7 -54.09 32.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.41 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.8 OUTLIER -45.45 -57.32 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.6 ' CE1' ' OD2' ' A' ' 55' ' ' ASP . 2.2 t80 -51.39 -37.02 46.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.494 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 51.5 mt -83.6 -89.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.495 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 84.8 mt-30 -36.84 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.04 144.34 49.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.91 -74.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.86 124.34 24.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.576 HG22 ' CZ3' ' A' ' 58' ' ' TRP . 9.9 mt -84.55 110.26 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -70.94 115.82 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 8.6 p90 -156.69 124.02 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.49 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -124.43 115.54 21.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -137.57 157.9 45.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.49 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.5 mt -136.7 162.25 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.449 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 25.8 m-20 -142.65 146.83 34.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 31' ' ' TYR . 2.0 mt -130.3 102.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -152.02 -173.81 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.8 m-20 67.52 62.62 0.75 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.99 104.84 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.65 116.79 30.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.475 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 67.0 m-85 -100.49 131.42 46.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -77.26 117.36 18.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.32 101.41 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -100.14 107.46 19.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.64 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.6 ttp -108.05 143.5 36.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.445 ' N ' ' HG2' ' A' ' 35' ' ' MET . 11.8 mtp180 -137.53 139.14 40.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.537 HG23 ' CD1' ' A' ' 42' ' ' PHE . 3.4 t -167.16 169.7 12.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -129.36 9.78 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.9 mt -79.99 153.27 74.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.02 -37.84 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.589 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.0 pt -38.3 -43.28 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.64 ' CD2' ' CE ' ' A' ' 35' ' ' MET . 80.0 m-85 -81.48 139.15 35.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -80.88 -52.35 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.6 mt -91.45 122.31 33.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -61.12 -37.3 82.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -159.92 144.6 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.96 168.94 25.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -134.05 97.83 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 127' ' ' LEU . 15.9 m -116.11 147.68 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -105.91 140.41 38.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -147.4 166.76 26.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -100.32 174.19 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -68.53 -26.5 65.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -41.47 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 126' ' ' PHE . 20.8 t0 -42.36 -45.94 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' CD1' HD21 ' A' ' 104' ' ' LEU . 46.0 m-85 -59.31 -43.94 92.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.51 -35.63 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.472 ' CE2' ' OE1' ' A' ' 62' ' ' GLU . 35.5 t90 -73.58 -50.01 23.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -55.66 -50.08 71.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -50.83 -60.76 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLU . 47.9 t-20 -44.82 -58.57 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.472 ' OE1' ' CE2' ' A' ' 58' ' ' TRP . 1.1 mp0 -39.52 -33.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 111' ' ' ILE . 79.7 mt -85.36 -46.66 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' ASN . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.245 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.8 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.2 t -101.42 100.73 10.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.7 t -92.29 137.22 24.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 165.8 30.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.86 41.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.1 mt -96.28 146.96 32.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 104.24 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -47.52 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -56.13 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mt -55.86 -43.1 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.373 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -60.64 3.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -50.14 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -71.59 -59.53 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.09 -61.28 1.02 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -59.79 -42.8 94.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.65 -50.09 50.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.423 HD21 ' CD1' ' A' ' 56' ' ' PHE . 41.6 mt -61.25 -44.98 96.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.08 -51.65 63.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -51.41 68.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 7.2 t80 -49.78 -59.21 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.443 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 3.2 tp -62.49 -44.65 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.92 -36.67 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.95 -43.14 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.486 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -53.9 -45.92 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.91 -65.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.42 -36.27 0.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -46.16 131.89 7.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.591 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -39.85 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.486 1.782 . . . . 0.0 111.058 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.465 ' CB ' HG12 ' A' ' 69' ' ' ILE . 7.0 mt -62.74 -32.49 73.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.36 24.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 39.6 mt-30 -54.36 -21.85 10.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -90.75 -33.16 15.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.61 135.45 57.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -28.46 23.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -45.9 90.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.435 ' HG ' ' CD1' ' A' ' 127' ' ' LEU . 0.7 OUTLIER -54.84 -63.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.414 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 92.3 m-70 -39.18 -58.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.572 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.482 ' HG2' ' CG ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -46.34 -54.26 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.594 ' CE2' ' OD2' ' A' ' 55' ' ' ASP . 3.0 t80 -60.13 -31.8 70.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.447 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 47.6 mt -75.96 -51.79 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.48 ' O ' ' O ' ' A' ' 129' ' ' GLU . 60.8 mt-30 -116.6 -128.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.332 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.482 ' CG ' ' HG2' ' A' ' 125' ' ' MET . 0.0 OUTLIER 58.29 134.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -42.39 -52.64 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -154.69 135.24 13.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 133' ' ' ASP . 15.3 mt -54.14 164.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.481 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 33.2 t0 -142.5 122.34 13.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.8 p90 -146.79 124.95 12.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.559 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 6.6 tp -128.79 107.58 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -140.8 164.07 31.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.4 155.04 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -124.12 143.13 50.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 31' ' ' TYR . 2.8 mt -135.7 103.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 17' ' ' ASN . 43.8 p90 -151.99 -173.8 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.515 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 2.8 t-20 65.88 59.67 1.12 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.1 Cg_endo -75.07 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.542 1.812 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.58 140.12 39.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.48 HG21 ' CG ' ' A' ' 50' ' ' ARG . 7.0 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.457 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 82.2 m-85 -150.78 139.9 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.02 96.28 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.3 t -80.89 91.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.84 128.45 54.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.589 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 4.9 tmm? -115.05 154.8 28.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -143.17 117.05 9.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.423 HG21 ' CG ' ' A' ' 42' ' ' PHE . 6.7 t -147.95 169.5 19.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -131.7 8.67 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.7 mt -77.92 154.27 80.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.99 -37.99 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.614 HG13 ' CD1' ' A' ' 42' ' ' PHE . 7.5 pt -39.21 -44.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.614 ' CD1' HG13 ' A' ' 41' ' ' ILE . 80.6 m-85 -83.11 133.69 35.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -71.68 -66.5 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -77.48 150.93 34.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -90.49 -35.54 15.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CG ' ' HG3' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -147.38 130.78 16.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.79 164.22 38.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.485 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 20.1 p -135.32 156.54 48.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 108.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 48' ' ' CYS . 18.3 m -158.29 154.32 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CG ' HG21 ' A' ' 30' ' ' THR . 0.0 OUTLIER -111.53 131.76 55.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.439 ' NH2' HD11 ' A' ' 132' ' ' ILE . 0.0 OUTLIER -160.28 166.02 30.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 20.0 mtm105 -87.44 179.93 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -66.13 -47.45 74.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' GLU . 14.4 m -50.34 -21.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 56' ' ' PHE . 8.8 p-10 -48.02 -36.78 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.604 ' CD2' ' OD1' ' A' ' 55' ' ' ASP . 68.3 m-85 -76.57 -25.99 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' SER . 14.1 mt-10 -71.35 -24.26 62.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.431 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 41.3 t90 -90.65 -37.82 13.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.536 HD22 ' CE2' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -64.54 -54.84 25.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -46.81 -63.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 4.5 t-20 -45.68 -48.7 14.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.1 mm-40 -45.85 -28.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.5 ' CD1' HD12 ' A' ' 111' ' ' ILE . 79.5 mt -84.61 -45.18 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 70' ' ' VAL . 6.6 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.429 ' N ' HG22 ' A' ' 69' ' ' ILE . 74.4 t -77.55 108.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 6.6 t -118.82 135.87 23.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.557 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.01 164.89 32.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.92 36.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.424 HD23 ' CB ' ' A' ' 56' ' ' PHE . 10.0 mt -86.55 147.35 43.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.0 1.19 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -61.15 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.05 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -44.15 -45.86 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.7 mt -65.25 -61.5 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.93 -52.07 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -63.74 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -44.64 96.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -49.54 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -52.42 -39.97 61.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.81 -57.1 19.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.568 HD22 ' CD2' ' A' ' 56' ' ' PHE . 39.2 mt -58.24 -62.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.42 -45.09 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -62.52 -56.08 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.1 t80 -45.91 -56.51 5.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.483 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 3.7 tp -62.77 -44.16 99.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.14 -36.72 13.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -42.66 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -55.03 -43.93 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.408 ' CB ' HD21 ' A' ' 11' ' ' LEU . . . -53.59 -56.31 18.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.259 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.93 -43.47 2.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.414 ' NE2' ' HB ' ' A' ' 70' ' ' VAL . 7.2 t-80 -43.43 132.87 3.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 0.796 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -46.22 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.28 -35.69 65.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.06 -44.94 52.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.475 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 58.5 mt-30 -52.94 -21.6 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -92.82 -35.04 13.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -64.9 121.17 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -29.62 68.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.81 -23.62 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.7 tp -79.23 -49.03 13.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.539 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 72.9 m-70 -63.4 -55.95 20.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -24.04 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.536 ' CE2' HD22 ' A' ' 59' ' ' LEU . 55.7 t80 -85.67 -8.9 57.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.413 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 31.8 mt -107.36 -94.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.443 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 42.8 mt-30 -39.83 -66.16 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.32 115.45 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.442 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 3.0 pm0 -67.27 -47.37 70.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.98 126.14 48.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.439 HD11 ' NH2' ' A' ' 51' ' ' ARG . 21.5 mt -91.07 137.13 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 134' ' ' ARG . 32.1 t70 -103.57 79.59 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 133' ' ' ASP . 2.7 mtt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 9.2 p90 -156.63 128.36 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.559 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 3.4 tp -125.2 105.55 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.01 158.5 44.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.432 HD11 ' CG1' ' A' ' 108' ' ' ILE . 3.2 mt -127.24 153.3 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -119.09 147.75 43.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.434 HG13 ' CA ' ' A' ' 105' ' ' GLU . 5.9 mm -133.56 98.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -152.65 -174.14 4.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.511 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.7 t30 64.94 59.28 1.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.02 113.01 3.69 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.49 141.45 47.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.9 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.6 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.47 ' CE1' ' HG3' ' A' ' 101' ' ' ARG . 61.1 m-85 -150.95 133.31 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.11 105.58 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 t -83.58 91.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -98.6 102.49 14.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 2.9 tmm? -97.91 154.74 17.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' SD ' ' A' ' 35' ' ' MET . 20.2 mtp180 -149.56 115.58 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.436 HG21 ' CG ' ' A' ' 42' ' ' PHE . 9.1 t -136.17 172.62 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -134.36 16.99 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.4 mt -91.68 154.66 44.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -74.94 -37.59 2.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.617 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.2 pt -37.77 -44.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CD1' HG13 ' A' ' 41' ' ' ILE . 81.4 m-85 -82.61 138.26 34.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -75.04 -51.34 13.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 mt -92.29 139.17 30.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -72.78 -31.16 64.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.91 142.1 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -156.2 165.91 35.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.83 141.33 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.0 m -145.45 165.74 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.82 109.66 15.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.27 151.24 49.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.406 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 74.2 mtm180 -79.7 158.48 26.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -47.93 -44.14 29.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.8 m -47.48 -26.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.6 ' OD1' ' CD2' ' A' ' 56' ' ' PHE . 3.8 p-10 -55.93 -35.99 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.6 ' CD2' ' OD1' ' A' ' 55' ' ' ASP . 52.2 m-85 -73.28 -49.21 28.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -50.19 -25.54 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.546 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 70.4 t90 -84.99 -54.83 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 108.04 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.569 HD21 ' CZ ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -51.19 -47.06 62.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' HD3' ' CD1' ' A' ' 74' ' ' LEU . 4.8 tttm -60.11 -64.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -47.8 -37.74 14.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.546 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 3.6 mm-40 -51.41 -24.46 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 111' ' ' ILE . 10.5 mt -98.71 -32.37 11.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.472 HG12 ' CB ' ' A' ' 116' ' ' LEU . 7.5 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.1 t -98.24 101.77 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 8.9 t -86.97 137.29 33.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.04 166.57 28.87 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 147.02 33.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.453 ' CD1' ' HD3' ' A' ' 60' ' ' LYS . 14.2 mt -94.68 151.48 39.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 112.92 3.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 p -59.43 -59.39 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -41.13 -57.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.2 mt -53.2 -52.37 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -49.76 -50.19 45.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -59.34 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -60.18 -46.27 90.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.47 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 2.4 ttp180 -42.78 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -53.36 -49.39 67.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.0 -66.69 0.65 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.421 1.075 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 80.9 mt -50.7 -61.65 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.434 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.7 tt0 -38.33 -48.21 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -56.81 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.5 t80 -44.8 -58.99 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.432 ' CG1' HD11 ' A' ' 13' ' ' ILE . 7.0 tp -60.73 -43.55 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -41.95 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -42.95 16.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.46 HD13 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -54.81 -36.91 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 114' ' ' HIS . . . -63.96 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.97 -31.26 0.09 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 112' ' ' ALA . 4.0 t-80 -58.27 128.15 81.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.472 ' CB ' HG12 ' A' ' 69' ' ' ILE . 5.4 mt -61.03 -38.87 87.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.05 -44.64 60.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 50.4 mt-30 -49.21 -25.23 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -90.52 -40.28 12.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -45.51 142.78 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.19 -24.77 25.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 27.2 p -61.89 -42.53 99.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 tp -64.53 -53.61 45.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 127' ' ' LEU . 32.6 m-70 -44.86 -55.05 5.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.547 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 127' ' ' LEU . 1.1 ttm -54.85 -56.46 19.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.569 ' CZ ' HD21 ' A' ' 59' ' ' LEU . 46.6 t80 -36.57 -32.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' MET . 3.8 mt -112.78 157.49 21.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 75.27 -55.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.46 130.74 40.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -72.27 -67.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -94.95 127.55 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.2 mt -82.28 133.34 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -93.36 80.29 4.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.0 p90 -158.03 133.61 8.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.476 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 6.0 tp -129.34 102.77 6.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -130.61 164.17 25.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.4 mt -135.58 156.6 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.79 141.7 50.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' A' ' 31' ' ' TYR . 2.1 mm -129.45 98.98 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -153.32 -174.34 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 4.3 t-20 68.24 62.32 0.68 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.03 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.25 119.49 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.444 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 58.1 m-85 -120.03 143.45 48.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.82 96.56 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 51' ' ' ARG . 6.8 t -77.57 91.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.57 99.41 11.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.569 ' HE1' ' CD2' ' A' ' 42' ' ' PHE . 9.7 ttp -93.83 143.84 25.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' N ' ' HG2' ' A' ' 35' ' ' MET . 29.8 ptt180 -140.79 145.19 36.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.5 t -172.97 162.81 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.406 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -120.72 14.77 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.2 mt -82.69 154.08 68.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.5 Cg_endo -74.97 -37.13 2.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.624 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.1 pt -37.76 -44.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.624 ' CD1' HG13 ' A' ' 41' ' ' ILE . 83.4 m-85 -84.67 151.16 24.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -94.97 -42.57 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -97.18 141.74 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -88.33 -35.97 16.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.79 126.37 15.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.227 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.12 163.1 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.4 145.36 47.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 108.359 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.6 m -152.72 163.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -87.62 127.91 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.48 ' HD3' ' CZ ' ' A' ' 126' ' ' PHE . 12.0 mmp_? -139.74 127.17 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -109.48 164.1 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 50.3 t80 -50.04 -38.26 37.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -48.07 71.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.24 -55.22 13.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CD2' HD22 ' A' ' 104' ' ' LEU . 34.3 m-85 -47.7 -51.15 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.02 -54.67 6.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.446 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 48.6 t90 -50.67 -49.06 58.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 108.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.565 HD21 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -56.88 -49.81 74.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -58.02 -62.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.47 -51.58 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.446 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 30.6 mm-40 -40.45 -41.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.473 ' CD1' HD13 ' A' ' 111' ' ' ILE . 64.9 mt -68.77 -59.55 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.472 HG23 ' CE1' ' A' ' 114' ' ' HIS . 3.3 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.6 t -90.11 103.81 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 72' ' ' PRO . 13.0 t -82.62 140.49 44.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.575 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.97 163.49 35.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.443 1.759 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.8 42.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 mt -100.86 151.24 37.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.592 ' O ' ' CE1' ' A' ' 53' ' ' TYR . 18.2 Cg_endo -75.04 112.82 3.65 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.456 1.766 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.29 -51.77 18.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -51.41 -44.7 62.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.6 mt -60.58 -52.14 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.14 -58.76 6.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -62.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.42 -47.85 84.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -50.22 -60.2 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -64.81 -47.61 77.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -43.99 -62.88 2.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 56' ' ' PHE . 26.2 mt -52.59 -55.95 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 1.6 tt0 -49.17 -49.1 44.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -43.29 96.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.9 t80 -62.42 -60.21 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.434 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 5.7 tp -58.98 -28.26 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 105' ' ' GLU . 0.7 OUTLIER -60.22 -61.07 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -37.82 88.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -61.55 -53.91 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.431 ' N ' ' CG2' ' A' ' 111' ' ' ILE . . . -52.42 -63.09 1.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ALA . . . -37.63 -34.85 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.472 ' CE1' HG23 ' A' ' 69' ' ' ILE . 3.1 t-80 -53.11 126.28 43.69 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.567 0.804 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.3 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mt -62.31 -38.04 87.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -72.47 -43.13 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.463 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 52.6 mt-30 -46.73 -24.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -89.43 -37.02 15.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 117' ' ' ALA . 45.0 mm-40 -48.58 133.96 16.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -78.9 -45.4 20.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.8 p -44.13 -45.82 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.272 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' HIS . 1.9 tp -64.13 -60.93 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' LEU . 5.4 m-70 -39.25 -48.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.4 OUTLIER -58.51 -54.34 48.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.565 ' CD2' HD21 ' A' ' 59' ' ' LEU . 58.0 t80 -37.92 -32.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 128' ' ' GLN . 2.6 mt -109.06 160.22 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 127' ' ' LEU . 74.0 mt-30 72.57 -56.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.77 107.15 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -49.67 51.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -111.92 126.78 55.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 126' ' ' PHE . 41.6 mt -79.44 112.16 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -75.21 96.25 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.4 p90 -157.98 122.93 4.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.567 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 3.3 tp -118.99 110.11 16.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.11 159.91 40.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.99 140.68 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.16 140.23 48.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mt -128.16 102.77 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -147.39 -174.49 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.44 65.58 0.9 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.12 25.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.92 122.66 9.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -148.3 139.3 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' OE1' ' CA ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -78.11 118.16 20.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.5 t -97.15 102.15 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -107.83 105.34 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.42 ' CE ' HG22 ' A' ' 37' ' ' THR . 3.0 tmm? -101.95 154.13 19.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' N ' ' SD ' ' A' ' 35' ' ' MET . 1.1 mtm180 -151.85 110.48 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.42 HG22 ' CE ' ' A' ' 35' ' ' MET . 12.2 t -132.74 166.36 22.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -125.25 20.64 8.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.8 mt -92.43 153.6 42.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.98 -37.92 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.619 HG13 ' CD1' ' A' ' 42' ' ' PHE . 9.2 pt -38.35 -44.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.619 ' CD1' HG13 ' A' ' 41' ' ' ILE . 84.7 m-85 -82.87 129.17 34.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -67.14 -54.57 20.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mt -88.77 150.12 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -89.56 -40.58 12.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -145.65 141.03 27.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 t -156.88 166.97 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t -133.94 124.61 26.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 108.291 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.1 m -145.16 167.32 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -111.42 130.01 55.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.404 ' NH1' ' O ' ' A' ' 130' ' ' GLU . 33.4 mmt180 -135.51 128.07 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -83.63 165.79 18.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.457 ' CD1' ' HD2' ' A' ' 100' ' ' ARG . 47.1 t80 -58.91 -24.09 61.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.9 m -74.7 -51.5 14.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -43.19 -44.86 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.554 ' CD2' HD21 ' A' ' 104' ' ' LEU . 20.8 m-85 -58.26 -45.09 88.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.38 -49.04 73.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.56 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 16.5 t90 -63.91 -34.54 78.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.522 HD21 ' CG ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -65.93 -50.8 63.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 63' ' ' LEU . 13.2 tttm -58.84 -61.97 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.46 -34.81 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.56 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.6 mm-40 -60.37 -37.3 80.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -84.39 -8.04 59.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.474 HG12 ' CD1' ' A' ' 116' ' ' LEU . 3.9 mt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.65 105.08 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 72' ' ' PRO . 4.1 t -98.86 140.25 21.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.1 Cg_endo -75.05 160.87 39.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.4 35.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.813 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 18.8 mt -93.78 143.27 26.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.441 ' O ' ' CE1' ' A' ' 53' ' ' TYR . 18.3 Cg_endo -74.96 109.99 3.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.4 OUTLIER -47.59 -61.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -43.6 -52.41 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.7 mt -56.1 -35.3 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 95' ' ' SER . 17.3 tt0 -74.34 -57.17 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.33 -48.24 9.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.457 ' HD2' ' CD1' ' A' ' 53' ' ' TYR . 7.2 tpp180 -65.84 -50.72 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -51.73 -68.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -54.59 -38.96 67.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.44 -62.3 5.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.554 HD21 ' CD2' ' A' ' 56' ' ' PHE . 55.2 mt -51.81 -48.15 63.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.54 -55.47 18.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -55.43 -47.87 75.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 6.3 t80 -54.07 -59.01 5.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.443 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 4.6 tp -61.16 -42.15 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.41 ' N ' HG22 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -49.94 -39.77 41.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -40.72 15.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -56.59 -48.04 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -58.47 -47.28 84.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -48.27 -35.47 14.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -55.35 135.85 69.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.447 1.761 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 69' ' ' ILE . 7.4 mt -56.7 -37.14 70.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.03 -44.68 68.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 63.1 mt-30 -52.74 -24.21 8.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -92.28 -31.78 15.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -54.32 140.21 34.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.2 -48.97 9.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 24.9 p -44.11 -33.61 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 108.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.71 -52.08 28.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -55.96 -28.97 59.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -31.05 64.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.522 ' CG ' HD21 ' A' ' 59' ' ' LEU . 43.7 t80 -70.1 -20.06 63.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.0 mt -116.0 150.99 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 77.09 -54.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.251 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.09 153.64 30.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.404 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 19.3 tp10 -93.02 -61.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.56 129.21 45.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 16.7 mt -84.13 114.96 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -72.03 79.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.2 p30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.8 p90 -157.26 122.42 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.559 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 4.0 tp -120.73 104.62 10.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -132.19 157.88 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 mt -129.13 152.23 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.7 139.48 53.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 mt -130.87 102.49 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -151.29 -174.9 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.413 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER 66.42 64.46 0.83 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -75.04 145.65 31.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.26 117.71 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 110.431 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -150.78 151.12 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.99 99.07 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.412 HG12 ' CD2' ' A' ' 127' ' ' LEU . 43.8 t -78.03 97.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -105.04 107.94 19.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 4.6 tmm? -104.53 155.23 19.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' N ' ' SD ' ' A' ' 35' ' ' MET . 2.9 mtp180 -147.79 107.03 3.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.493 HG21 ' CG ' ' A' ' 42' ' ' PHE . 13.8 t -128.65 170.6 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.32 13.98 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.6 mt -86.01 155.98 57.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.0 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.614 HG13 ' CD1' ' A' ' 42' ' ' PHE . 7.6 pt -38.43 -44.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.614 ' CD1' HG13 ' A' ' 41' ' ' ILE . 81.4 m-85 -83.34 129.85 35.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -68.99 -52.95 23.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.81 149.2 23.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -86.13 -32.42 21.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -159.35 143.95 15.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 t -156.66 168.32 27.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.6 p -134.41 129.43 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.41 176.76 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 144.37 41.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 14.6 tpp180 -156.65 128.62 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -85.54 178.54 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -73.74 -25.53 60.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -41.04 61.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.408 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -48.84 -49.25 40.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.455 ' CD1' ' CZ ' ' A' ' 126' ' ' PHE . 25.2 m-85 -54.31 -45.91 72.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 1.3 mt-10 -52.78 -36.12 57.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.405 ' CZ3' ' SG ' ' A' ' 122' ' ' CYS . 14.4 t90 -71.3 -45.52 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.033 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.517 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.11 -46.05 90.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 63' ' ' LEU . 19.5 tttm -64.17 -64.56 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -48.62 -30.33 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.49 -35.15 79.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.476 ' CD1' HD12 ' A' ' 111' ' ' ILE . 39.8 mt -71.9 -45.26 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -86.06 102.61 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.25 137.25 19.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.577 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -74.99 164.58 33.08 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 151.5 39.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.443 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 28.0 mt -94.36 148.53 35.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 81.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.9 t -42.92 -59.18 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.94 -52.28 25.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.7 mt -49.67 -48.22 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.84 -54.2 45.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -57.05 9.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.05 -52.62 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -49.86 -68.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -54.9 -45.96 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.59 -69.39 0.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.5 mt -40.83 -55.29 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.272 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.93 -44.59 9.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -55.89 20.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.577 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -44.42 -54.54 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 5.1 tp -66.57 -50.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -39.42 -35.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.91 -59.91 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.476 HD12 ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -42.03 -31.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.28 -56.98 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.97 -36.48 2.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.562 1.163 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.404 ' CE1' ' HB2' ' A' ' 116' ' ' LEU . 6.1 t-80 -52.89 126.56 42.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.612 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.56 2.45 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.404 ' HB2' ' CE1' ' A' ' 114' ' ' HIS . 5.6 mt -64.46 -26.79 68.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.73 -40.34 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 66.8 mt-30 -52.36 -25.17 9.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -89.74 -41.57 11.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.431 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 44.4 mm-40 -39.62 135.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -78.26 -22.04 48.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.405 ' SG ' ' CZ3' ' A' ' 58' ' ' TRP . 40.8 t -64.11 -56.89 11.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 tp -52.3 -57.02 11.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 127' ' ' LEU . 22.1 m-70 -43.61 -56.26 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -53.27 60.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 36.8 t80 -37.86 -44.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.412 ' CD2' HG12 ' A' ' 33' ' ' VAL . 1.4 mt -103.58 165.38 11.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 77.03 -54.76 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.05 150.31 27.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -85.18 -59.57 2.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.91 125.55 45.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 126' ' ' PHE . 29.3 mt -81.98 114.24 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 134' ' ' ARG . 1.8 m-20 -72.57 74.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 133' ' ' ASP . 14.0 mtp180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 9.6 p90 -156.86 122.69 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.571 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 4.1 tp -120.33 106.1 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -132.04 160.81 34.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mt -134.8 139.62 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.01 141.21 47.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.07 104.87 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.464 ' HA ' ' CZ ' ' A' ' 101' ' ' ARG . 44.1 p90 -151.0 -174.83 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 58.17 71.97 0.95 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.51 28.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.8 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -145.3 118.63 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.5 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -97.38 156.6 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.55 96.67 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.7 t -78.78 108.21 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -110.53 102.17 10.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.413 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tmm? -99.82 153.49 19.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -151.32 111.23 4.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.475 HG23 ' CG ' ' A' ' 42' ' ' PHE . 11.5 t -130.99 170.1 14.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -131.46 19.06 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.2 mt -93.43 154.72 41.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -38.21 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.602 HG13 ' CD1' ' A' ' 42' ' ' PHE . 9.1 pt -38.08 -44.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.602 ' CD1' HG13 ' A' ' 41' ' ' ILE . 81.0 m-85 -81.86 131.19 35.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -66.01 -55.14 18.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.072 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.6 mt -91.73 143.52 26.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -79.59 -29.8 41.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -165.89 144.26 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.4 170.64 21.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.6 p -125.24 117.67 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.265 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.4 m -136.93 173.04 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 6.4 ptt180 -125.71 123.29 38.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.43 ' CZ ' ' O ' ' A' ' 50' ' ' ARG . 12.7 mmp_? -123.58 152.83 41.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' ASP . 19.0 ptt180 -120.71 150.02 41.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -39.61 -43.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -45.57 69.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ARG . 83.1 m-20 -55.1 -56.44 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.548 ' CD2' HD22 ' A' ' 104' ' ' LEU . 65.0 m-85 -47.1 -41.9 18.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -61.01 -48.15 83.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.605 ' CZ2' ' OE1' ' A' ' 62' ' ' GLU . 6.7 t90 -63.23 -42.61 99.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.54 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.3 -52.32 64.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' LEU . 15.0 tttm -56.9 -69.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -45.59 -34.78 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.605 ' OE1' ' CZ2' ' A' ' 58' ' ' TRP . 0.7 OUTLIER -69.61 -39.28 77.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.487 ' CD1' HD11 ' A' ' 111' ' ' ILE . 3.1 mt -60.11 -43.22 95.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.7 t -95.59 100.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 10.6 t -100.64 137.17 19.8 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.07 159.11 41.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.34 40.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 56' ' ' PHE . 12.5 mt -94.35 150.2 37.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 93.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.9 -58.73 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -57.51 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 13.3 mt -47.91 -57.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.21 -49.09 70.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -57.23 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -53.67 -55.32 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 16' ' ' PHE . 20.2 ttp180 -46.96 -66.61 0.38 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.15 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -41.08 -60.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.24 -63.23 1.87 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.548 HD22 ' CD2' ' A' ' 56' ' ' PHE . 45.8 mt -44.03 -59.43 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.97 -46.6 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -55.18 23.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 5.3 t80 -43.91 -58.8 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 4.4 tp -61.27 -49.53 84.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.416 ' N ' HG21 ' A' ' 108' ' ' ILE . 1.2 m-80 -44.35 -37.85 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 -40.82 13.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.487 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -55.89 -48.45 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.419 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -56.74 -57.84 10.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.78 -33.0 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -58.06 131.89 83.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.76 -36.59 69.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.39 -48.48 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 64.1 mt-30 -47.02 -25.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.52 -43.77 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.05 138.35 15.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 -41.32 17.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 27.3 p -44.92 -41.05 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.31 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.7 tp -60.98 -58.65 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -39.89 -61.41 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 127' ' ' LEU . 1.9 ttm -37.71 -57.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.54 ' CD1' HD22 ' A' ' 59' ' ' LEU . 15.8 t80 -36.9 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' MET . 2.6 mt -112.92 155.59 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 77.76 -54.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.13 115.29 9.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -51.02 39.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -114.3 164.76 13.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.48 HG23 ' CZ3' ' A' ' 58' ' ' TRP . 20.9 mm -91.83 103.74 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 134' ' ' ARG . 28.5 t0 -82.88 76.63 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 133' ' ' ASP . 7.4 mtm-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 p30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 34.5 p90 -154.23 124.4 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.532 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 4.2 tp -123.2 112.96 18.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.18 155.03 43.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -124.48 149.37 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.577 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 5.8 m-20 -114.71 148.19 38.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.431 HG13 ' CA ' ' A' ' 105' ' ' GLU . 10.8 mm -132.6 98.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -152.43 -174.91 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 64.23 62.94 1.38 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -75.02 135.04 18.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -140.65 128.69 22.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.2 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -148.73 145.29 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 96.83 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.7 t -77.68 91.83 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -97.76 107.98 20.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.465 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.2 tmm? -103.66 154.86 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' SD ' ' A' ' 35' ' ' MET . 2.0 mtt85 -149.48 114.73 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.451 HG23 ' CD1' ' A' ' 42' ' ' PHE . 7.6 t -138.22 171.61 14.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.46 ' ND2' ' CD2' ' A' ' 10' ' ' PHE . 5.3 p30 -131.71 11.92 4.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 mt -81.68 154.96 71.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.94 -38.21 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.617 HG13 ' CD1' ' A' ' 42' ' ' PHE . 7.8 pt -38.33 -44.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CD1' HG13 ' A' ' 41' ' ' ILE . 82.0 m-85 -84.05 136.95 33.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -74.96 -54.31 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.22 144.3 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -80.72 -31.07 36.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 47' ' ' SER . 5.1 tt0 -152.92 142.1 21.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.403 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 5.5 p -156.7 155.84 32.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.42 121.81 25.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.345 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.9 m -125.12 173.71 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -123.5 118.43 27.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -150.81 154.38 37.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -107.57 174.85 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 21.7 t80 -50.1 -32.87 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.4 t -58.94 -21.26 57.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.539 ' CG ' ' CE1' ' A' ' 126' ' ' PHE . 44.8 t0 -70.99 -66.45 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 104' ' ' LEU . 92.7 m-85 -45.41 -38.08 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 53' ' ' TYR . 3.8 mt-10 -61.17 -45.34 95.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -65.79 -42.28 90.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 107.986 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.555 HD21 ' CD1' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -62.03 -53.04 61.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -55.21 -64.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -48.67 -34.35 11.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HG2' ' CB ' ' A' ' 122' ' ' CYS . 3.8 tp10 -66.21 -40.8 90.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 111' ' ' ILE . 18.7 mt -65.11 -49.02 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.319 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 70' ' ' VAL . 8.4 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.419 ' N ' HG21 ' A' ' 69' ' ' ILE . 82.8 t -93.23 101.98 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.8 t -91.94 138.64 24.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 168.42 24.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 143.71 29.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.4 mt -98.22 150.36 36.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 61.9 5.76 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.39 -59.56 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -46.21 -54.97 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.5 mt -55.12 -61.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -43.3 -57.63 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.54 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -51.1 71.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -39.68 -66.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.2 -44.52 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.36 -67.98 1.21 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.434 1.084 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 49.7 mt -49.47 -62.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.431 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.1 tt0 -39.09 -53.01 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -53.81 53.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.3 t80 -49.5 -59.01 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.462 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 6.1 tp -60.21 -40.07 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.01 -45.19 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.86 -40.24 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.459 HD13 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -57.22 -42.4 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.441 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -61.01 -61.26 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.23 -34.65 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -54.33 131.28 61.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.753 . . . . 0.0 109.643 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mt -59.44 -41.81 90.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -68.08 -50.89 52.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.443 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 66.7 mt-30 -42.7 -27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.93 -41.88 10.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ALA . 30.0 mm-40 -42.05 148.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.95 -47.55 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.403 ' CB ' ' HG2' ' A' ' 62' ' ' GLU . 1.9 p -42.76 -42.53 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 tp -64.19 -57.27 10.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' LEU . 26.6 m-70 -45.67 -42.88 12.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -40.6 76.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.555 ' CD1' HD21 ' A' ' 59' ' ' LEU . 50.8 t80 -52.26 -24.36 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 124' ' ' HIS . 3.9 mt -122.05 155.76 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 77.02 -54.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.256 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.3 105.97 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -47.13 -60.07 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -105.41 129.06 53.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.8 mt -81.57 115.85 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -75.88 77.44 2.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -142.58 -60.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 60.31 172.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.55 108.09 0.22 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -144.3 143.27 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 109.951 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.2 p -172.78 168.89 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.49 115.76 0.6 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m 61.87 133.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -72.89 144.44 47.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 32.1 p90 -155.38 124.43 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.449 HD22 ' CB ' ' A' ' 112' ' ' ALA . 4.2 tp -122.73 110.29 15.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -143.74 154.75 43.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -124.87 148.31 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.528 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 4.4 m-20 -113.32 146.15 39.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.405 HG13 ' CA ' ' A' ' 105' ' ' GLU . 4.3 mm -130.15 101.9 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -152.22 -175.16 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 10.5 t-20 65.17 63.83 1.07 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.4 Cg_endo -74.98 108.58 2.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -107.04 134.25 50.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.2 m -89.07 142.16 27.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.568 ' HB ' ' CE1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -120.67 166.29 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.2 175.88 0.1 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.24 142.47 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.83 -103.09 0.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -142.66 174.79 10.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 45.99 28.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.69 172.16 5.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 21' ' ' VAL . 4.0 p90 -140.45 174.23 10.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 30' ' ' THR . 1.0 OUTLIER -137.06 166.18 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.465 ' N ' ' CG2' ' A' ' 29' ' ' THR . 1.8 p -120.77 -178.87 3.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -147.32 142.89 27.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.55 101.6 9.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 t -83.75 95.35 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -106.55 108.16 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.59 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.1 tmm? -98.55 154.81 17.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' SD ' ' A' ' 35' ' ' MET . 10.1 mtp180 -150.54 114.18 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.454 HG22 ' CD1' ' A' ' 42' ' ' PHE . 10.8 t -137.61 176.9 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.79 10.86 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.9 mt -79.79 155.42 75.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -75.0 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.615 HG13 ' CD1' ' A' ' 42' ' ' PHE . 6.8 pt -38.9 -43.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.615 ' CD1' HG13 ' A' ' 41' ' ' ILE . 79.5 m-85 -84.47 127.36 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -47.82 71.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 mt -94.35 145.32 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -82.93 -34.72 26.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HG3' ' CG ' ' A' ' 36' ' ' ARG . 2.0 tm-20 -147.82 142.49 26.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 7.9 p -156.8 147.06 21.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.6 p -121.47 128.5 52.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.321 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 127' ' ' LEU . 31.2 m -141.86 160.59 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -102.63 134.36 46.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 10.3 tpp180 -156.05 158.78 38.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -125.14 179.88 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -63.89 -54.57 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.99 -34.8 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 5.7 m-20 -65.38 -53.55 41.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CE1' ' CZ ' ' A' ' 126' ' ' PHE . 18.7 m-85 -49.5 -30.57 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -22.16 66.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -84.91 -36.7 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.513 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -72.15 -58.34 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -43.63 -53.55 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -53.81 -45.42 70.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.66 -22.13 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -92.27 -27.56 17.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -88.81 40.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -67.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 172.91 104.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.438 ' C ' ' N ' ' A' ' 69' ' ' ILE . 3.5 m -179.5 36.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 42.06 28.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.7 mt -84.58 134.63 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.3 t -102.67 101.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.9 t -97.45 137.58 21.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.547 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.02 161.43 38.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.08 37.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 12.1 mt -88.84 140.09 29.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -74.98 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 155.51 167.26 16.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -162.66 134.09 5.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 179.07 124.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tt -170.91 88.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.54 65.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -152.84 125.76 8.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.79 -55.32 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.3 mt -115.32 151.36 45.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 86.68 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -133.19 -46.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.81 167.92 10.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.04 -104.56 0.35 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -88.29 133.07 34.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.243 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -87.61 67.05 9.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.27 94.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.1 pp -141.08 109.99 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -144.77 93.85 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -158.22 139.96 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -49.31 -46.15 46.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.8 m -43.31 -59.19 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -64.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mt -47.26 -47.1 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -56.8 -52.53 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.68 -60.46 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -57.34 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -41.91 -49.64 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -72.7 -53.24 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -41.49 -69.34 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.7 mt -43.18 -60.53 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.405 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.8 tt0 -39.95 -48.3 2.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.17 -50.93 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.547 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.2 t80 -51.36 -53.56 35.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 4.2 tp -65.07 -43.6 95.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.97 -36.92 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.19 -43.25 12.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -46.48 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.449 ' CB ' HD22 ' A' ' 11' ' ' LEU . . . -55.06 -40.95 70.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.63 -40.76 80.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.474 ' CE1' ' HG ' ' A' ' 116' ' ' LEU . 5.9 t-80 -49.36 132.59 17.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.778 . . . . 0.0 109.62 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.474 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 4.9 mt -59.68 -26.55 65.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.75 -41.57 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.461 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 65.0 mt-30 -53.36 -22.89 8.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -91.86 -35.57 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -49.17 141.64 8.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -44.81 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.1 p -45.23 -44.1 10.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 108.279 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.3 tp -50.29 -60.27 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.556 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 95.3 m-70 -54.17 -51.3 64.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.514 ' CE ' ' CD2' ' A' ' 136' ' ' TYR . 1.2 ttm -51.6 -34.48 37.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.651 ' CZ ' ' CE1' ' A' ' 56' ' ' PHE . 27.4 t80 -79.64 -10.84 59.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 28.2 mt -107.86 -90.82 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' LEU . 74.1 mt-30 -38.9 -63.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.96 138.68 57.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.444 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -87.03 -42.65 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.255 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -112.87 125.1 53.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 63.7 mt -77.73 147.46 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 134' ' ' ARG . 2.7 m-20 -117.97 83.0 1.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 133' ' ' ASP . 6.4 mtm180 -37.9 129.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 64.1 53.21 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.514 ' CD2' ' CE ' ' A' ' 125' ' ' MET . 40.3 p90 -73.42 178.3 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.93 120.53 48.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.83 20.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.765 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 141' ' ' SER . . . -161.54 138.16 5.28 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt 70.16 -62.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.753 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 139' ' ' GLY . 0.2 OUTLIER 40.14 80.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 39.52 -156.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 91.65 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 25.1 p -66.35 169.35 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.033 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.31 88.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -169.63 157.39 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 t -157.98 154.75 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.8 92.92 0.11 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 p -169.72 94.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -137.96 142.04 40.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.35 -133.21 8.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 m -144.68 165.78 27.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.426 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 20.3 m-20 -76.76 159.67 29.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 5.6 p90 -155.89 132.2 10.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.54 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 5.5 tp -127.88 107.88 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -134.93 160.35 38.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.72 140.23 46.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.03 142.06 46.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mt -135.89 101.3 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -152.14 -175.12 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 66.98 68.38 0.57 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.42 15.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -138.96 132.69 30.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.7 m -97.82 150.71 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.548 HG12 ' CE1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -91.44 165.8 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.87 -148.93 1.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -140.29 140.37 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.66 151.96 7.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -93.43 90.44 6.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 0.809 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' ARG . . . 176.23 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ALA . 3.2 mtt-85 -55.77 -164.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.548 ' CE1' HG12 ' A' ' 21' ' ' VAL . 3.3 p90 -118.0 174.44 6.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 t -134.98 160.08 39.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.473 HG21 ' CE2' ' A' ' 28' ' ' PHE . 39.1 p -115.42 -175.98 2.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.375 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.447 ' CD1' ' HG3' ' A' ' 101' ' ' ARG . 39.2 m-85 -148.28 145.52 28.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.04 100.41 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 t -85.89 92.01 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -102.76 100.76 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.42 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tmm? -93.26 153.38 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -148.2 115.3 6.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.519 HG23 ' CG ' ' A' ' 42' ' ' PHE . 10.9 t -135.79 161.4 35.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.428 ' ND2' ' CD2' ' A' ' 10' ' ' PHE . 1.6 p30 -123.16 27.98 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 9' ' ' ASN . 25.2 mt -104.18 153.43 38.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.01 -37.57 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.622 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.1 pt -37.72 -44.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CD1' HG13 ' A' ' 41' ' ' ILE . 79.4 m-85 -82.83 130.99 35.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -67.95 -50.21 57.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.18 148.65 22.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -39.86 15.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -148.2 142.78 26.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 t -156.43 170.09 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.7 p -135.63 128.21 30.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.308 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.6 m -143.37 171.67 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG3' ' CG2' ' A' ' 30' ' ' THR . 0.0 OUTLIER -108.98 112.16 24.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' NH2' HG13 ' A' ' 132' ' ' ILE . 16.6 mmt180 -121.67 128.39 51.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' HD3' ' CE2' ' A' ' 28' ' ' PHE . 21.7 mtm180 -97.07 159.37 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.501 ' CG ' ' HD3' ' A' ' 100' ' ' ARG . 39.9 t80 -54.09 -19.62 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -81.2 -49.07 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -46.57 -40.94 13.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CD2' HD23 ' A' ' 104' ' ' LEU . 38.9 m-85 -63.04 -44.15 96.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.94 -21.62 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 13.1 t90 -87.29 -37.95 16.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -55.14 22.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -49.89 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -44.14 -51.66 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.5 mm-40 -39.84 -35.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 111' ' ' ILE . 37.1 mt -82.38 -51.92 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -54.69 -29.46 53.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -51.6 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -176.62 105.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER 171.15 123.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -23.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.461 HG12 ' CB ' ' A' ' 116' ' ' LEU . 6.8 mt -40.09 144.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.2 t -108.02 101.57 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 13.2 t -84.43 138.4 38.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.95 164.55 33.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.84 30.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.7 mt -86.53 149.58 49.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 96.62 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.35 113.97 0.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.01 152.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 56.47 82.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -124.08 162.07 24.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.41 131.7 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.84 111.07 23.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -174.17 112.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -41.18 147.5 0.44 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.418 ' N ' HD13 ' A' ' 83' ' ' LEU . 18.2 Cg_endo -75.03 109.37 2.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -48.44 -59.37 3.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -172.0 119.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.247 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.34 76.64 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.23 119.09 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -135.13 -163.24 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.6 -155.35 8.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.417 ' HA ' ' CE2' ' A' ' 96' ' ' PHE . 1.0 OUTLIER 39.6 89.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 0.734 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -152.42 -64.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -65.31 140.64 58.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -60.38 -38.36 83.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.5 t -53.73 -57.26 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 91' ' ' ILE . 56.4 t80 -48.95 -54.6 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.6 mt -49.04 -68.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -40.99 -51.57 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.35 -59.32 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.501 ' HD3' ' CG ' ' A' ' 53' ' ' TYR . 8.1 ttm180 -64.59 -45.52 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HG3' ' CD1' ' A' ' 31' ' ' TYR . 6.7 ttp180 -53.25 -64.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -55.64 -41.38 73.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.76 -57.09 10.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.561 HD23 ' CD2' ' A' ' 56' ' ' PHE . 48.2 mt -53.51 -58.13 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.744 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -40.23 -47.73 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -59.8 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.565 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 9.1 t80 -43.05 -57.62 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.4 tp -61.52 -44.17 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -39.8 21.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -40.36 16.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -56.36 -48.51 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 114' ' ' HIS . . . -56.89 -62.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ALA . . . -37.6 -30.79 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 112' ' ' ALA . 4.9 t-80 -57.53 131.45 81.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.35 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.461 ' CB ' HG12 ' A' ' 69' ' ' ILE . 6.2 mt -61.64 -34.83 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -75.07 -48.59 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 59.1 mt-30 -44.41 -26.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -90.65 -38.78 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' ALA . 38.7 mm-40 -46.77 130.33 11.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -82.64 -21.82 34.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 12.0 p -69.0 -25.9 64.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 124' ' ' HIS . 9.3 tp -79.2 -59.8 2.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 123' ' ' LEU . 27.9 m-70 -39.57 -54.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -46.37 -55.4 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.455 ' HA ' ' CD1' ' A' ' 132' ' ' ILE . 33.2 t80 -40.56 -32.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.42 154.7 20.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 77.34 -54.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.07 111.5 11.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -50.19 -49.81 51.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.239 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -114.55 139.15 49.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 126' ' ' PHE . 4.8 mt -88.66 118.86 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -78.5 105.5 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 132' ' ' ILE . 21.9 mtt85 -70.19 -5.98 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -109.14 41.33 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 136' ' ' TYR . 0.1 OUTLIER -88.39 175.46 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.95 112.36 64.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 122.73 7.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 136.72 171.72 12.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.62 109.29 20.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.5 m -73.58 -71.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -66.83 125.23 25.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.575 1.172 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 42.3 t -116.72 112.84 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 170.41 13.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -128.88 170.82 12.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.014 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.6 103.03 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.921 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.76 -169.46 4.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.56 -60.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 p 59.0 111.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.67 -161.36 28.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.2 p -42.78 137.86 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -66.45 155.74 36.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 4.5 p90 -150.77 122.72 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.552 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 4.7 tp -122.06 105.63 10.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -134.03 160.98 36.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.3 149.17 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -118.72 140.86 49.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mt -135.69 103.73 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.86 -176.67 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 68.78 65.08 0.55 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.46 125.78 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -111.04 126.76 55.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -139.38 164.06 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.511 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 113.3 169.08 17.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' ARG . 54.1 t -67.18 136.2 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.41 83.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER 170.87 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.91 20.27 12.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.3 177.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -140.5 171.08 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.4 m -140.48 154.18 46.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p -149.7 167.29 26.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 2.7 m-85 -134.26 162.38 32.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.27 100.63 11.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.4 t -82.91 93.52 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.2 114.49 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.503 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.7 tmm? -106.41 153.64 21.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -145.52 113.71 6.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.434 HG21 ' CG ' ' A' ' 42' ' ' PHE . 13.6 t -136.34 167.04 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.435 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -130.18 21.51 5.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.1 mt -96.88 153.23 38.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.02 -37.94 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.605 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.2 pt -37.66 -43.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.605 ' CD1' HG13 ' A' ' 41' ' ' ILE . 77.3 m-85 -80.9 138.18 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -53.08 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.9 mt -97.14 151.84 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -87.56 -34.83 18.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -155.67 142.89 19.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 19.4 t -156.67 166.28 33.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.5 p -133.87 123.47 24.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.44 179.26 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.99 136.01 38.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -155.87 166.67 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' CZ ' ' CB ' ' A' ' 52' ' ' ARG . 4.4 mtp-105 -99.68 151.85 20.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' ASP . 8.5 t80 -41.43 -53.97 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' TYR . 4.0 m -37.45 -32.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' TYR . 67.1 t0 -51.93 -59.34 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.478 ' CD1' ' CZ ' ' A' ' 126' ' ' PHE . 51.9 m-85 -47.07 -45.8 22.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.8 -43.8 73.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -69.69 -25.12 63.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 107.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -78.12 -60.15 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 63' ' ' LEU . 30.8 tttm -43.13 -63.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' GLU . 37.4 t30 -43.07 -56.43 3.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -47.14 -34.3 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' A' ' 59' ' ' LEU . 14.0 mt -77.44 -33.15 54.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' ASN . 15.8 mm-40 -86.97 43.32 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -68.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t0 173.47 49.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -123.55 -147.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -109.81 5.33 22.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.458 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.6 mt -56.74 130.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -104.5 100.72 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.3 t -98.18 136.23 21.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.97 165.62 30.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 148.34 34.86 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.6 mt -93.38 144.14 27.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 63.7 5.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.759 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -129.03 -139.63 4.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.38 143.15 32.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.37 153.08 50.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tp 63.84 81.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.38 165.43 16.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.08 159.52 42.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.32 -55.19 37.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.05 147.45 90.35 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 138.71 23.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -122.55 171.37 9.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 142.5 36.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.14 101.16 0.14 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 169.13 -32.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -126.82 -54.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 91' ' ' ILE . . . -41.69 -81.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 90' ' ' GLY . 1.8 mt 39.45 86.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 93' ' ' GLU . 21.8 p90 -165.49 -43.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -47.59 142.63 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.343 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -72.03 -5.68 36.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.58 -33.97 13.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.68 -52.61 24.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.4 mt -53.84 -49.28 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -50.88 64.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -39.81 14.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -78.52 -50.47 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -38.88 -65.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.05 -48.43 76.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -38.4 -58.2 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.457 HD21 ' CD2' ' A' ' 56' ' ' PHE . 79.3 mt -59.18 -57.12 14.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.16 -48.07 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.92 -52.79 62.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.555 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -49.48 -56.54 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 4.5 tp -61.83 -50.6 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.42 ' N ' HG23 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -42.54 -38.48 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.14 -41.72 13.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -55.16 -50.12 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.437 ' N ' ' CG2' ' A' ' 111' ' ' ILE . . . -50.48 -54.01 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.7 -37.65 2.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -54.84 132.15 66.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 109.632 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -47.48 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.458 ' CB ' HG12 ' A' ' 69' ' ' ILE . 5.4 mt -52.99 -36.66 60.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.3 -45.43 55.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 62.9 mt-30 -51.99 -21.7 3.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -92.09 -34.98 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -51.53 142.22 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -83.28 -45.75 13.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 22.8 p -44.28 -41.24 5.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.28 -55.37 29.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 127' ' ' LEU . 82.3 m-70 -46.48 -38.7 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.409 ' C ' ' N ' ' A' ' 127' ' ' LEU . 1.3 ttm -67.88 -54.32 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.478 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 36.6 t80 -41.89 -27.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 124' ' ' HIS . 3.2 mt -115.97 155.96 27.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 75.12 -55.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.31 136.35 42.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -71.27 -73.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -95.3 138.8 32.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 26.7 mt -88.3 139.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -97.74 126.66 43.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.34 25.31 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -140.3 25.21 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -80.68 175.5 10.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.1 t -108.81 124.25 34.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 178.61 7.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -159.86 119.23 0.88 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -73.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.6 m -55.14 133.7 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -145.07 -124.04 1.68 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.54 1.81 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.5 118.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.8 p -114.81 -58.48 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t 62.5 106.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 0.733 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -150.21 156.05 40.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.64 112.78 0.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -151.46 136.48 17.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.998 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.45 152.65 20.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.53 -132.43 1.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.48 173.2 12.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -90.82 144.13 26.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.546 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 22.2 p90 -151.01 129.4 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 5.4 tp -124.4 106.15 9.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -132.31 164.11 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.469 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.1 mt -135.83 157.72 38.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.66 132.45 49.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.68 98.73 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -152.4 -175.2 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t30 67.41 71.71 0.41 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 141.3 26.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -137.68 117.79 13.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 m -99.57 146.88 25.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.597 ' CG1' ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -122.51 162.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 52.02 174.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -140.17 140.26 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 0.716 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.85 -142.84 12.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.6 mtm-85 -101.1 171.9 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' ARG . . . 40.19 70.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.477 ' CD ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -109.0 -177.98 3.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.597 ' CE1' ' CG1' ' A' ' 21' ' ' VAL . 2.3 p90 -154.29 173.32 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -140.66 166.37 24.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p -125.37 136.9 53.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -111.49 159.11 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.99 104.63 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.8 t -84.47 95.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -107.09 118.62 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.566 ' HE3' ' CD2' ' A' ' 42' ' ' PHE . 4.6 ttp -114.71 142.45 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -137.48 148.87 46.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.422 ' HB ' ' CD1' ' A' ' 11' ' ' LEU . 5.4 t -171.43 163.89 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.86 12.06 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.2 mt -82.71 155.35 68.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.02 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.621 HG13 ' CD1' ' A' ' 42' ' ' PHE . 9.1 pt -38.02 -45.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.621 ' CD1' HG13 ' A' ' 41' ' ' ILE . 85.1 m-85 -83.42 127.09 33.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -71.4 -41.53 69.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.96 140.77 31.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -77.02 -30.11 55.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.23 144.45 19.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 p -153.59 147.76 25.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 p -124.44 132.03 53.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 108.307 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.4 m -142.71 175.52 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -124.32 122.65 38.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 23.9 mmm180 -146.18 142.49 28.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.06 179.45 6.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -71.04 -29.96 66.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -34.72 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.595 ' OD2' ' CE1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -46.29 -55.76 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CD2' HD22 ' A' ' 104' ' ' LEU . 58.5 m-85 -48.15 -55.47 10.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -39.71 -47.73 2.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -58.45 -64.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -44.32 -45.08 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -59.28 -58.24 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -52.6 -37.9 59.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.58 -16.7 40.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' CD1' HD11 ' A' ' 111' ' ' ILE . 5.8 mt -98.35 -24.81 15.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.69 -25.5 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -58.61 -25.52 62.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 67' ' ' SER . 6.5 t70 174.5 110.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 1.4 m 157.8 131.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.76 44.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.567 HG22 ' CE1' ' A' ' 114' ' ' HIS . 7.5 mt -103.39 153.13 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.41 ' N ' HG21 ' A' ' 69' ' ' ILE . 81.4 t -96.0 100.47 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.8 t -86.93 136.66 33.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 157.74 42.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.442 1.759 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.72 31.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -86.54 147.6 44.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 70.14 5.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.7 109.44 0.37 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.94 104.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.62 153.17 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.9 tp -103.97 154.43 19.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 81' ' ' ARG . 5.3 mttt -87.28 -76.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER 78.39 158.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 60.31 149.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.47 157.83 34.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 128.34 11.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -88.77 -47.48 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.26 80.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.23 -145.52 18.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -134.28 163.86 28.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -61.85 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.73 136.19 2.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.434 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.0 pp -143.99 106.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -150.49 89.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -147.7 142.88 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -46.2 -48.03 17.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.59 -60.85 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.434 ' CE2' ' HB ' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -46.34 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.1 mt -48.99 -46.28 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.97 -49.46 76.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -57.36 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -62.82 -34.77 78.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -57.86 -56.51 20.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.263 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -66.44 -50.89 61.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.46 -64.85 1.46 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.559 HD22 ' CD2' ' A' ' 56' ' ' PHE . 55.3 mt -48.53 -56.33 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.88 -44.0 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -54.86 23.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.5 t80 -44.99 -56.22 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 3.9 tp -63.98 -47.32 91.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.05 -38.2 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.98 -41.98 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.429 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -56.6 -50.84 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.425 ' N ' ' CG2' ' A' ' 111' ' ' ILE . . . -55.15 -58.36 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.5 -40.39 0.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.567 ' CE1' HG22 ' A' ' 69' ' ' ILE . 5.6 t-80 -51.01 131.52 30.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.601 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.1 Cg_endo -75.01 -44.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' A' ' 69' ' ' ILE . 8.8 mt -58.57 -33.51 70.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.96 -41.81 61.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 70.2 mt-30 -55.73 -19.5 11.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -91.46 -35.91 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -49.36 137.2 14.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -84.56 -19.84 32.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -55.67 19.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 108.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -51.44 -60.96 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -39.63 -33.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.4 OUTLIER -69.27 -62.81 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.595 ' CE1' ' OD2' ' A' ' 55' ' ' ASP . 2.5 t80 -36.47 -31.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 125' ' ' MET . 0.3 OUTLIER -110.46 160.23 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 127' ' ' LEU . 77.1 mt-30 73.4 -56.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.32 118.34 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.43 -49.03 73.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -123.06 129.09 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 126' ' ' PHE . 57.8 mt -74.89 126.64 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' ARG . 56.1 m-20 -91.92 82.22 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 133' ' ' ASP . 8.1 mtm180 -37.59 156.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 135' ' ' ASN . 18.9 t30 40.97 66.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -83.23 171.15 13.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.4 t -107.86 115.49 58.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 146.42 32.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.791 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -108.46 5.87 33.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.421 1.075 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.65 103.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 121.28 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -132.29 100.57 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.35 16.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.76 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 29.2 m -115.63 -60.27 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.3 t 57.84 87.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -178.33 149.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -169.16 166.7 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.81 141.16 4.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -153.58 169.55 22.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -165.54 165.65 18.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.74 -171.96 22.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 t -52.74 166.12 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.951 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -116.47 153.62 31.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 17.0 p90 -151.76 122.37 7.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' CD2' ' HB1' ' A' ' 112' ' ' ALA . 3.9 tp -124.75 106.64 10.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -130.97 163.32 27.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.483 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.2 mt -134.01 159.89 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' N ' HG21 ' A' ' 13' ' ' ILE . 2.6 m-20 -130.8 146.94 52.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mt -137.01 101.54 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 32' ' ' GLU . 47.4 p90 -152.28 -172.73 4.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.3 t-20 64.79 61.31 1.33 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -74.96 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -96.62 134.85 39.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -91.33 155.08 18.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.675 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 9.1 t -101.8 166.36 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.15 144.71 0.61 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 p -82.41 148.43 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.0 -61.69 0.05 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -167.17 126.74 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 46.94 46.81 15.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -46.83 167.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.675 ' CE1' ' CG2' ' A' ' 21' ' ' VAL . 4.1 p90 -141.95 174.1 10.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 30' ' ' THR . 1.1 m -129.88 164.18 24.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.379 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.429 ' N ' ' CG2' ' A' ' 29' ' ' THR . 72.8 p -116.83 -178.59 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -149.69 135.86 18.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 3.2 mp0 -77.4 104.35 7.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 t -84.21 98.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -108.55 118.96 38.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.555 ' HE2' ' CD2' ' A' ' 42' ' ' PHE . 4.0 ttp -114.21 142.55 46.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.5 ptt180 -132.52 149.93 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.424 HG23 ' CG ' ' A' ' 42' ' ' PHE . 3.4 t -173.82 168.81 4.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -129.98 13.63 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.9 mt -84.03 156.74 63.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.0 -38.28 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.78 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.62 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.1 pt -38.62 -44.9 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.62 ' CD1' HG13 ' A' ' 41' ' ' ILE . 83.0 m-85 -84.31 133.14 34.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.78 -50.67 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.82 135.12 33.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -72.16 -29.18 63.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -164.71 142.05 6.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -156.83 164.49 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.79 147.71 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' CG1' ' O ' ' A' ' 128' ' ' GLN . 26.2 m -148.7 163.87 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -122.9 116.87 24.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -147.83 143.27 27.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -70.05 156.58 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.283 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -47.04 -39.56 13.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -19.58 5.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' CE2' ' A' ' 126' ' ' PHE . 5.5 p-10 -62.81 -37.13 85.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.541 ' CD2' HD23 ' A' ' 104' ' ' LEU . 41.3 m-85 -69.86 -34.57 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 5.4 mt-10 -67.01 -21.63 65.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.57 ' CZ3' HD12 ' A' ' 132' ' ' ILE . 33.3 t90 -87.66 -44.87 10.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.55 HD22 ' CE2' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.09 -52.36 64.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -51.63 -68.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.15 -44.13 7.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' CG ' ' SG ' ' A' ' 122' ' ' CYS . 0.0 OUTLIER -45.13 -34.28 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.478 ' CD1' HD13 ' A' ' 111' ' ' ILE . 27.1 mt -77.2 -55.52 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.08 -35.75 64.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.68 -58.11 4.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -152.12 99.29 2.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.91 -36.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.14 11.82 8.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.536 HG23 ' CE1' ' A' ' 114' ' ' HIS . 16.0 mt -63.79 152.93 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.9 t -85.97 101.24 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.42 HG22 ' CD1' ' A' ' 63' ' ' LEU . 20.8 t -99.27 138.47 20.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.5 Cg_endo -74.99 164.82 32.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.798 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 145.66 31.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.429 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 29.1 mt -85.53 151.26 55.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 61.87 5.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -179.77 136.68 2.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -147.56 152.92 38.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 62.46 96.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.45 123.81 45.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.06 122.04 22.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.0 140.76 31.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 53.66 70.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -45.85 149.56 1.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 115.79 4.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.784 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.63 139.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.09 92.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 124.63 136.52 4.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.61 163.19 38.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -61.24 2.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 100.77 134.42 8.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.1 pp -138.83 108.68 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 9.1 p90 -145.87 -47.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' PHE . 5.4 mt-10 -38.97 152.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -87.14 -17.95 31.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -52.37 19.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLU . 47.4 t80 -49.15 -67.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.8 mt -40.82 -55.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -45.34 -43.56 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -54.76 -65.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -57.38 -51.75 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -66.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.73 -48.35 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -47.09 -51.13 14.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.552 1.158 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.541 HD23 ' CD2' ' A' ' 56' ' ' PHE . 88.9 mt -62.79 -54.47 38.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -50.18 26.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -60.97 -53.79 52.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.0 t80 -45.58 -57.99 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.415 ' CG1' HD13 ' A' ' 13' ' ' ILE . 3.5 tp -63.24 -48.85 85.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -43.1 -35.69 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.71 -43.04 10.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.478 HD13 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -54.31 -48.68 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.468 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -54.78 -57.68 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.02 -36.79 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.536 ' CE1' HG23 ' A' ' 69' ' ' ILE . 5.0 t-80 -47.99 133.81 11.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.26 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.409 ' CB ' ' CD1' ' A' ' 69' ' ' ILE . 7.2 mt -63.07 -28.4 70.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.13 -47.21 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 70.5 mt-30 -49.05 -23.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.48 -42.57 12.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -54.56 129.33 35.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -81.32 -25.27 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.43 ' SG ' ' CG ' ' A' ' 62' ' ' GLU . 26.3 p -59.66 -24.25 63.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.86 -48.87 42.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.59 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 41.3 m-70 -60.04 -52.91 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.61 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.1 ttm -49.94 -33.23 16.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.55 ' CE2' HD22 ' A' ' 59' ' ' LEU . 32.9 t80 -77.96 -16.14 58.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 128' ' ' GLN . 36.9 mt -103.19 -93.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 127' ' ' LEU . 74.6 mt-30 -36.23 -67.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.46 142.02 53.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.12 -72.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.04 124.16 30.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.57 HD12 ' CZ3' ' A' ' 58' ' ' TRP . 26.6 mt -74.48 115.41 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 134' ' ' ARG . 39.2 t70 -79.35 80.49 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 133' ' ' ASP . 4.6 mtt180 -37.44 147.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 135' ' ' ASN . 12.3 t30 46.6 69.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -101.51 -177.02 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 73.4 t -114.83 114.05 44.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 73.46 4.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 53.76 179.82 0.13 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -103.31 86.07 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.349 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.7 t -168.94 -56.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 116.8 156.14 10.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 128.11 11.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.6 p -97.62 158.64 15.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.9 m -78.66 169.12 18.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 m -155.6 -54.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 0.725 . . . . 0.0 110.02 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t 62.0 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.48 -167.7 14.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.65 159.61 33.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.03 142.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.58 143.8 7.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.41 145.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.15 157.91 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.4 p90 -154.79 124.21 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' A' ' 112' ' ' ALA . 7.0 tp -127.98 105.17 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -130.99 159.93 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.467 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.1 mt -135.98 132.76 50.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -103.51 141.89 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 mt -128.91 101.47 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -151.85 -174.9 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.7 m-20 63.46 64.0 1.46 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.1 Cg_endo -74.98 117.45 4.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.46 142.09 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 28' ' ' PHE . 87.3 m -116.91 133.11 56.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -112.65 162.34 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -83.29 136.02 14.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 22' ' ' GLY . 45.1 t -154.06 148.21 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.45 -23.67 43.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -155.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.249 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 27' ' ' ARG . . . -91.77 31.58 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 26' ' ' ALA . 0.6 OUTLIER 54.52 166.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.576 ' CE2' HG22 ' A' ' 30' ' ' THR . 3.7 p90 -161.83 174.44 13.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.9 m -125.2 156.54 38.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.576 HG22 ' CE2' ' A' ' 28' ' ' PHE . 51.9 p -116.41 -175.94 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -150.51 136.77 18.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.96 101.14 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 t -81.17 104.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -108.34 100.04 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.552 ' HE1' ' CD2' ' A' ' 42' ' ' PHE . 5.4 ttp -94.95 144.31 25.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.2 ttt180 -143.13 139.62 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 t -166.68 169.44 13.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -124.38 8.86 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.8 mt -74.93 152.95 86.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.03 -37.73 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.425 1.75 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.619 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.3 pt -37.98 -44.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.619 ' CD1' HG13 ' A' ' 41' ' ' ILE . 82.5 m-85 -83.26 139.85 32.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -80.06 -41.13 26.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mt -103.29 146.73 28.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -82.83 -34.8 26.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.7 148.29 34.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.4 p -156.43 159.79 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.7 m -136.02 117.23 14.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.2 m -139.13 160.51 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.26 121.95 43.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HD3' ' CB ' ' A' ' 55' ' ' ASP . 2.0 mmt85 -125.38 138.43 54.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -90.12 160.66 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.514 ' CG ' ' HD3' ' A' ' 100' ' ' ARG . 10.0 t80 -60.78 -27.87 68.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -41.64 23.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.442 ' CB ' ' HD3' ' A' ' 51' ' ' ARG . 76.8 m-20 -45.01 -41.12 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CD2' HD21 ' A' ' 104' ' ' LEU . 41.7 m-85 -62.31 -41.22 98.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -55.54 -24.94 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.403 ' CH2' HG23 ' A' ' 132' ' ' ILE . 52.9 t90 -79.68 -45.17 19.48 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.493 HD23 ' CG ' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -65.77 -54.94 20.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -41.74 -51.43 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' GLU . 51.0 t30 -60.32 -49.18 78.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.91 -24.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.9 mt -90.3 -32.2 16.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 61' ' ' ASN . 3.1 mm-40 -87.08 43.18 1.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -67.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t70 171.45 63.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 m -135.29 26.32 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.51 20.97 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 116' ' ' LEU . 4.8 mt -80.45 136.11 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.0 t -102.81 114.72 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.3 t -107.4 138.11 19.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.99 162.41 37.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.18 31.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 18.7 mt -78.9 144.87 64.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 97.66 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.47 1.774 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 153.27 143.32 3.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.33 162.08 16.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.747 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -172.59 135.59 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.89 157.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.34 108.38 18.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.94 93.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 65.18 115.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.96 153.85 80.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 86' ' ' ARG . 18.3 Cg_endo -75.01 90.4 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 57.09 -85.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 84' ' ' PRO . 5.8 mmt180 -98.91 -81.42 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.74 -149.67 10.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.5 113.35 24.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.39 74.67 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 98.31 128.37 6.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.2 pp -140.27 108.99 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -170.53 96.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -141.51 150.65 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.25 -54.21 7.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.32 -51.8 24.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.11 -54.68 27.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.9 mt -58.13 -61.08 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -53.57 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.27 -58.42 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' HD3' ' CG ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -63.84 -49.95 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -41.83 -69.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -59.15 -46.82 87.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -44.81 -68.16 0.99 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 111.006 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 56' ' ' PHE . 43.8 mt -48.33 -46.66 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.41 -55.74 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -45.85 84.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.558 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.0 t80 -54.62 -59.56 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 4.3 tp -61.99 -41.54 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.92 -42.61 37.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -40.52 19.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -55.33 -50.59 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.46 ' CB ' HD21 ' A' ' 11' ' ' LEU . . . -52.84 -49.65 65.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -48.96 -22.19 2.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 115' ' ' PRO . 7.9 t-80 -69.89 135.06 87.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.4 Cg_endo -74.97 -53.67 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 69' ' ' ILE . 8.3 mt -47.45 -40.9 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.31 59.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 50.9 mt-30 -52.38 -27.27 15.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -35.45 18.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -56.42 145.39 27.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -85.17 -32.03 22.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 123' ' ' LEU . 22.5 p -54.13 -43.19 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.42 ' N ' ' SG ' ' A' ' 122' ' ' CYS . 7.8 tp -65.4 -61.61 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -41.74 -54.86 3.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.62 -53.02 52.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.505 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 28.8 t80 -44.16 -26.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.04 160.15 19.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 72.25 -56.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -72.53 118.35 15.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -46.39 -59.26 3.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -116.07 171.21 7.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 133' ' ' ASP . 33.8 mt -108.99 146.71 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 132' ' ' ILE . 0.9 OUTLIER -107.13 81.75 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 133' ' ' ASP . 5.8 mtm180 -38.3 138.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 61.06 61.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -89.81 175.19 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.7 t -101.65 113.11 65.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 119.47 5.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -109.0 -147.93 12.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.76 114.76 15.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -58.91 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -165.34 -145.31 4.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 155.27 43.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 78.8 p -129.65 142.12 50.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.0 p -131.06 107.05 8.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.43 102.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -175.64 154.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.38 136.77 2.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.61 110.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -145.88 159.89 42.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.12 92.1 0.09 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.68 163.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.451 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 5.0 m120 -114.64 163.41 15.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.2 p90 -158.14 125.12 4.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.542 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 4.5 tp -127.62 109.03 11.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -134.0 161.03 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.2 mt -136.38 151.96 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.13 146.18 47.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.412 ' N ' ' HG3' ' A' ' 105' ' ' GLU . 1.7 mt -138.43 101.48 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -151.98 -173.88 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t30 70.3 65.48 0.45 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 103.06 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -113.65 138.32 50.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.0 m -120.69 135.49 55.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.598 ' CG1' ' CE2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -112.25 163.91 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.507 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -95.44 142.21 15.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' ARG . 3.4 t -151.56 159.59 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.41 0.712 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.17 86.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER 42.5 54.31 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.87 32.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.12 166.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.598 ' CE2' ' CG1' ' A' ' 21' ' ' VAL . 2.9 p90 -157.4 172.77 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -140.36 150.97 44.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p -143.59 129.05 19.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -93.04 150.57 20.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.78 115.94 17.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 t -97.38 115.68 37.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.77 100.99 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.571 ' HE1' ' CD2' ' A' ' 42' ' ' PHE . 5.0 ttp -97.38 143.89 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.0 OUTLIER -139.16 144.27 38.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.474 HG21 ' CD1' ' A' ' 42' ' ' PHE . 3.3 t -173.69 161.9 3.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -123.3 14.22 9.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 9' ' ' ASN . 22.8 mt -81.34 154.74 71.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.04 -37.63 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.619 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.4 pt -38.17 -44.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.619 ' CD1' HG13 ' A' ' 41' ' ' ILE . 79.7 m-85 -83.16 135.23 34.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -74.76 -47.71 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mt -95.01 139.53 31.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -79.91 -27.79 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -161.45 142.29 11.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.23 170.7 21.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.449 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 18.9 p -128.26 132.41 48.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 48' ' ' CYS . 28.8 m -156.23 168.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -129.27 144.58 51.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.3 mmt-85 -139.89 168.07 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -120.37 157.52 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -49.2 -26.65 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.76 -47.39 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.58 -46.65 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.541 ' CD2' HD21 ' A' ' 104' ' ' LEU . 29.6 m-85 -55.25 -40.95 71.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -59.92 -39.49 85.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.451 ' C ' ' CE3' ' A' ' 58' ' ' TRP . 5.0 t90 -70.48 -24.81 62.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 107.955 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.7 OUTLIER -80.03 -57.02 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' LEU . 21.6 tttm -50.73 -62.56 1.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -47.58 -37.81 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.39 -33.83 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.341 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.439 HD12 ' CD1' ' A' ' 111' ' ' ILE . 1.3 mt -85.88 -13.06 49.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.65 50.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -94.57 -67.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 3.3 t0 163.1 76.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 m -146.47 33.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt 51.17 23.1 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 116' ' ' LEU . 5.3 mt -84.5 132.89 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.7 t -103.89 101.57 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 6.0 t -90.99 137.56 26.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -74.98 158.82 42.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.8 39.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.429 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 17.8 mt -88.29 146.94 39.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.18 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.81 99.04 0.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -91.05 140.09 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' LYS . . . 170.36 148.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.8 87.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.54 149.69 11.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.82 109.87 4.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -166.26 112.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.77 150.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.3 2.93 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.462 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -49.64 142.04 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.049 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -71.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.64 165.49 27.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 2.6 t0 -107.3 -21.01 13.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 88' ' ' ASP . 7.3 mt-10 -161.46 128.61 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.64 -130.22 6.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.14 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.47 77.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.35 -52.42 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.86 126.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.08 -52.27 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -49.99 -58.18 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -46.46 -51.54 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.26 -60.05 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -51.9 60.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.77 -59.6 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -60.48 -52.56 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -63.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.64 -45.94 81.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.06 -64.1 3.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 56' ' ' PHE . 79.8 mt -47.31 -56.87 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 1.4 tt0 -44.55 -42.77 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -54.74 18.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.567 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.6 t80 -43.24 -58.7 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 4.1 tp -61.86 -49.14 85.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' CG2' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -43.09 -35.28 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -91.11 -43.89 9.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.439 ' CD1' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -54.14 -43.77 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.454 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -61.18 -44.57 97.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.89 -33.43 50.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.52 132.76 77.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.591 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -45.44 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.523 1.802 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.468 ' CB ' HG12 ' A' ' 69' ' ' ILE . 8.5 mt -57.41 -31.75 66.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.2 -44.91 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.449 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 68.5 mt-30 -53.11 -25.65 13.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.57 -33.07 17.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -57.7 136.46 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -21.45 29.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 17.5 p -65.82 -40.81 92.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.95 -61.42 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 125' ' ' MET . 74.6 m-70 -39.57 -58.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 124' ' ' HIS . 1.0 OUTLIER -37.45 -58.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.503 ' CG ' HD22 ' A' ' 59' ' ' LEU . 26.4 t80 -38.13 -34.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 124' ' ' HIS . 0.3 OUTLIER -112.45 164.46 13.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 71.41 -56.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.352 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 126.6 28.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.34 -51.98 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -134.66 -175.56 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 126' ' ' PHE . 16.3 mm -95.08 110.4 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -84.69 113.01 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -89.47 38.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -147.85 23.68 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -173.0 4.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 53.4 t -128.55 121.08 21.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 151.04 39.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.75 127.41 0.29 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.68 92.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.8 m -40.01 151.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -177.0 99.51 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 101.71 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.5 p -67.76 112.8 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.42 84.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 63.82 168.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.739 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.96 143.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.73 101.88 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -147.72 133.49 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -143.23 160.22 40.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.0 -150.11 21.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.123 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 156.23 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.97 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -81.96 155.87 25.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 41.5 p90 -150.71 129.62 12.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.558 1.161 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 tp -127.78 108.68 10.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.7 164.17 27.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -137.27 158.24 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -133.9 142.46 47.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mt -139.29 99.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -152.39 -174.24 4.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 7.3 t30 69.88 64.16 0.5 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.98 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.66 131.55 55.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 m -92.28 146.64 23.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.408 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.646 ' CG1' ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -129.88 164.0 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.498 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -86.91 145.23 19.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.88 161.55 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.04 -60.42 2.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -162.68 45.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -164.57 59.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mtm-85 -45.47 161.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.646 ' CE1' ' CG1' ' A' ' 21' ' ' VAL . 4.1 p90 -165.33 174.71 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 m -126.66 165.55 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.51 HG23 ' CE2' ' A' ' 28' ' ' PHE . 1.4 p -123.46 -177.19 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -150.56 142.13 23.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.96 94.52 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 45.2 t -77.65 91.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -109.96 128.85 55.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.703 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.1 tmm? -117.98 153.44 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 7.4 ptm180 -139.65 120.03 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.432 HG23 ' CG ' ' A' ' 42' ' ' PHE . 7.0 t -148.5 165.68 30.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -129.38 12.22 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.0 mt -82.93 154.69 67.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -37.3 2.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.607 HG13 ' CD1' ' A' ' 42' ' ' PHE . 7.8 pt -38.91 -44.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.703 ' CD2' ' CE ' ' A' ' 35' ' ' MET . 78.4 m-85 -82.41 129.09 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -47.87 55.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mt -92.25 149.61 21.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -90.02 -39.85 12.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.09 134.81 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -156.76 168.32 27.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.9 p -136.21 153.37 51.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 108.289 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.416 ' CG2' ' HB ' ' A' ' 33' ' ' VAL . 31.9 m -152.3 164.77 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.46 ' CD ' HG21 ' A' ' 30' ' ' THR . 15.2 ttt180 -115.35 115.96 27.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' NE ' ' OD2' ' A' ' 55' ' ' ASP . 21.1 mmm180 -147.44 161.83 40.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -102.23 179.16 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.96 -38.89 92.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -36.61 47.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' CG ' ' CE1' ' A' ' 126' ' ' PHE . 42.1 t0 -49.45 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.537 ' CD1' HD21 ' A' ' 104' ' ' LEU . 89.1 m-85 -37.98 -50.65 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.65 -49.13 38.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 75.3 t90 -58.79 -55.77 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.544 HD23 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -51.94 -52.49 49.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -49.45 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 64' ' ' GLU . 6.0 t-20 -45.95 -47.83 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -40.96 -30.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 111' ' ' ILE . 33.0 mt -81.2 -48.03 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.2 mt-10 -61.83 -35.84 79.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -56.94 1.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 67' ' ' SER . 27.4 t70 -156.16 101.34 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER 159.64 132.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 46.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.521 HG21 ' CE1' ' A' ' 114' ' ' HIS . 9.6 mt -96.75 146.35 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.404 ' N ' HG23 ' A' ' 69' ' ' ILE . 71.1 t -94.33 100.97 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.5 t -90.64 137.46 27.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.04 162.57 36.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.96 29.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.55 148.8 36.14 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.36 92.37 2.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.64 -172.28 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 41.29 83.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.31 77.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 179.92 4.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 57.13 166.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 67.77 120.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -83.31 158.57 63.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 68.0 5.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -161.23 140.94 10.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.53 139.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.02 -148.07 17.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.87 105.91 18.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -95.98 88.25 4.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.77 153.27 6.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.492 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 1.1 pp -140.76 107.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 91' ' ' ILE . 10.7 m-85 -159.57 71.37 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -129.73 125.5 36.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -41.68 -52.16 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -52.2 65.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -49.75 -53.58 24.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.7 mt -54.94 -63.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -42.9 -54.04 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.69 -58.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -65.72 -48.3 72.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -40.86 -66.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.45 -47.63 81.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.16 -57.28 2.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.537 HD21 ' CD1' ' A' ' 56' ' ' PHE . 20.9 mt -56.78 -60.68 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.8 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.08 -47.77 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.51 -49.82 76.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.565 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.0 t80 -56.62 -57.54 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.473 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 9.4 tp -59.29 -37.21 67.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -59.53 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -62.26 -50.95 69.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.0 -37.01 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 108' ' ' ILE . . . -60.72 -60.51 3.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.28 -35.62 1.88 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.521 ' CE1' HG21 ' A' ' 69' ' ' ILE . 5.5 t-80 -46.5 131.65 8.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.39 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 mt -62.09 -33.74 75.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -76.76 -45.52 28.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 39.0 mt-30 -46.68 -24.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.21 -42.19 11.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -46.87 136.05 8.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.79 -27.06 22.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 30.1 p -60.09 -20.7 59.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.334 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.99 -54.73 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.687 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 94.8 m-70 -56.79 -52.66 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -47.06 -42.42 18.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.544 ' CD2' HD23 ' A' ' 59' ' ' LEU . 18.0 t80 -69.21 -21.92 63.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 124' ' ' HIS . 58.9 mt -95.54 -92.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 127' ' ' LEU . 80.5 mt-30 -37.43 -68.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.24 146.16 44.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -87.51 -67.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.07 124.79 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 133' ' ' ASP . 10.2 mt -84.11 159.27 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.43 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 21.2 t0 -124.7 128.86 49.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.441 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -91.85 28.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -153.8 24.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.0 -172.5 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 80.2 t -112.5 114.89 49.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 176.72 9.53 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.464 1.77 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -123.49 117.84 3.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.123 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.99 -70.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.5 137.71 44.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -104.3 157.91 16.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 62.9 5.98 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.74 143.7 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.11 126.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -167.99 164.3 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.002 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.9 p -169.95 124.14 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.75 116.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.78 102.94 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.984 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -177.27 90.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.13 -171.9 40.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.51 168.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -102.65 148.68 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 16.7 p90 -145.87 128.38 16.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.477 HD21 ' CB ' ' A' ' 112' ' ' ALA . 9.5 tp -126.89 105.07 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -131.18 163.5 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.75 139.7 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -109.75 140.47 43.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.476 ' CG1' ' HG3' ' A' ' 105' ' ' GLU . 1.4 mm -127.77 99.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 17' ' ' ASN . 47.5 p90 -152.73 -174.71 5.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.405 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 7.8 t-20 69.17 64.63 0.54 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.05 143.57 29.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -147.96 119.2 7.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.2 m -76.36 148.04 37.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG12 ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -141.75 163.36 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 49.74 178.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.5 p -159.7 144.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.3 46.73 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 60.64 157.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 42.79 50.57 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -73.0 -177.87 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' A' ' 21' ' ' VAL . 3.0 p90 -140.49 174.5 10.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -140.06 165.9 26.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 p -126.43 141.83 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD2' ' HG3' ' A' ' 101' ' ' ARG . 60.8 m-85 -115.76 155.74 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.49 106.32 17.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.0 t -84.09 92.61 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -98.71 101.87 13.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.544 ' HE2' ' CD2' ' A' ' 42' ' ' PHE . 4.9 ttp -96.45 143.33 27.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.44 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.4 OUTLIER -139.33 146.39 40.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 11' ' ' LEU . 4.9 t -173.59 165.53 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -123.61 15.33 9.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.1 mt -82.16 153.9 69.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -37.75 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.761 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.614 HG13 ' CD1' ' A' ' 42' ' ' PHE . 9.4 pt -38.2 -45.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.614 ' CD1' HG13 ' A' ' 41' ' ' ILE . 83.1 m-85 -82.39 136.37 34.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -76.25 -45.97 30.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -97.65 149.05 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -82.97 -36.02 25.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -151.49 143.42 23.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 p -154.87 142.95 20.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.0 m -110.41 119.58 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.3 m -133.02 -177.2 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -131.62 119.02 20.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.525 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -131.5 126.56 35.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -79.5 179.69 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -74.5 -32.5 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -67.53 -37.2 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 37.4 m-20 -54.13 -52.33 61.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CD2' HD23 ' A' ' 104' ' ' LEU . 27.0 m-85 -50.94 -45.49 60.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.93 -30.2 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.477 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 24.0 t90 -82.09 -42.85 18.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.517 HD23 ' CG ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -59.95 -55.3 35.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -46.34 -64.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 64' ' ' GLU . 8.0 t30 -47.46 -48.52 26.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -43.71 -45.49 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.446 ' CD1' HD13 ' A' ' 111' ' ' ILE . 51.4 mt -64.44 -38.2 90.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' ASN . 28.7 mm-40 -84.32 40.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -61.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -147.04 73.21 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.9 t -179.02 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER 69.91 17.53 7.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LYS . 5.5 mt -39.03 154.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.0 t -81.57 103.19 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 16.7 t -108.8 138.1 20.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.524 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.08 161.79 37.98 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.13 33.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.2 mt -87.31 148.46 44.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 114.09 3.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.27 158.77 8.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.87 108.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.94 122.7 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.246 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tp -139.42 90.12 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt 65.34 115.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.44 136.09 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.31 -64.1 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.3 mt -108.16 153.46 41.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.56 7.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 50.62 177.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 60.04 105.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 154.11 -69.39 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.44 126.89 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.34 -60.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.03 91.5 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.513 HG23 ' CE2' ' A' ' 96' ' ' PHE . 17.6 mm -81.95 53.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 4.7 p90 -165.45 48.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.76 177.08 4.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -82.25 -31.51 30.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -25.29 65.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.513 ' CE2' HG23 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -73.48 -57.89 3.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.91 -42.11 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -56.17 24.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -59.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -52.05 67.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.452 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 18.6 ttp180 -40.5 -68.49 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -52.59 -53.57 44.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.78 -69.78 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.571 HD23 ' CD2' ' A' ' 56' ' ' PHE . 83.8 mt -47.47 -59.57 3.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.476 ' HG3' ' CG1' ' A' ' 15' ' ' ILE . 6.5 tt0 -42.03 -51.1 4.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -53.75 54.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.524 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.9 t80 -51.47 -59.45 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.421 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 5.4 tp -58.84 -40.18 79.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.81 -48.1 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -38.45 55.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.446 HD13 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -57.56 -51.84 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.477 ' CB ' HD21 ' A' ' 11' ' ' LEU . . . -53.47 -59.54 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.97 -37.28 0.97 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -52.19 132.3 41.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.747 . . . . 0.0 109.576 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.9 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.38 -37.84 57.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -71.32 -49.3 43.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.438 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 59.9 mt-30 -47.97 -24.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.21 -34.94 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 56.7 mm-40 -54.07 140.29 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -85.09 -40.16 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 7.6 p -47.94 -46.12 31.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 108.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.87 -57.2 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 127' ' ' LEU . 19.9 m-70 -41.87 -41.11 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.7 OUTLIER -61.33 -58.43 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.525 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 11.2 t80 -37.19 -32.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 125' ' ' MET . 4.8 mt -111.87 163.12 14.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 70.79 -57.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.84 151.01 47.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.407 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 11.8 tp10 -86.55 -69.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -103.89 129.05 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.21 131.52 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 135' ' ' ASN . 12.2 m-20 -91.74 29.22 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 133' ' ' ASP . 13.9 mtt180 35.76 -95.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.5 t30 -84.06 48.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -47.36 169.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.7 t -109.56 116.05 55.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.38 33.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -129.3 -138.2 4.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -107.54 -62.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.21 -61.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 170.54 -164.86 38.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -78.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.7 p -39.42 -58.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 p -173.2 159.85 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -178.68 163.62 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.43 68.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -155.64 123.6 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 110.038 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.1 141.77 3.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.045 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.17 -92.76 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.2 m -143.99 154.07 42.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -80.19 162.59 24.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 17.5 p90 -156.19 124.83 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' ' 112' ' ' ALA . 7.0 tp -124.1 106.02 10.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -132.11 163.31 28.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.473 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.48 154.67 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -125.57 140.29 52.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mt -130.75 102.21 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -151.65 -174.97 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t30 62.66 69.08 0.93 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.373 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 131.77 14.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -132.18 124.22 28.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.4 m -84.26 144.31 28.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.564 HG13 ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -140.61 163.83 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 58.1 155.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.132 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.9 t -135.72 142.41 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.57 -91.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.435 ' O ' ' NH2' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -143.78 -62.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.72 51.28 0.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -48.39 173.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.564 ' CZ ' HG13 ' A' ' 21' ' ' VAL . 4.0 p90 -133.32 174.19 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 30' ' ' THR . 1.2 m -140.56 166.51 24.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.447 ' N ' ' CG2' ' A' ' 29' ' ' THR . 4.2 p -123.64 -177.1 3.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -150.88 163.89 37.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.32 94.17 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.0 t -80.59 94.68 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -102.19 100.74 10.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.352 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.567 ' HE1' ' CD2' ' A' ' 42' ' ' PHE . 4.1 ttp -93.6 143.82 25.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.4 ttt180 -138.25 141.5 39.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.436 ' HB ' ' CD1' ' A' ' 11' ' ' LEU . 5.1 t -168.99 171.68 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -131.35 12.69 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.4 mt -79.04 153.79 77.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -74.98 -37.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.617 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.4 pt -37.94 -44.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CD1' HG13 ' A' ' 41' ' ' ILE . 80.7 m-85 -83.04 139.02 33.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -78.0 -51.66 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.7 mt -93.81 137.09 33.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -67.16 -45.17 77.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.23 143.44 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.93 169.15 23.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.1 p -120.81 128.6 53.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.1 m -136.57 -176.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -134.78 110.19 9.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 14.8 mmp_? -113.09 147.95 36.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.7 152.31 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -42.56 -35.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 m -68.8 -50.15 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -44.18 -55.43 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 126' ' ' PHE . 57.7 m-85 -47.2 -47.28 24.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.92 -46.69 71.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.516 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 38.1 t90 -63.1 -32.76 74.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.508 ' HB2' ' CD1' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -70.85 -56.43 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -44.62 -65.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' GLU . 1.3 t-20 -50.74 -53.05 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.516 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 15.5 mm-40 -43.85 -31.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 59' ' ' LEU . 6.6 mt -80.92 -43.15 20.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' ASN . 1.9 mt-10 -60.56 -15.9 32.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -74.68 -38.89 62.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.73 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.87 67.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt 40.42 35.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.423 HG23 ' CE1' ' A' ' 114' ' ' HIS . 5.6 mt -40.91 152.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.406 ' HB ' ' NE2' ' A' ' 114' ' ' HIS . 70.4 t -81.93 101.2 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.447 ' CG1' ' HD2' ' A' ' 72' ' ' PRO . 39.5 t -111.71 140.4 23.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.0 166.15 29.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.792 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.25 31.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.48 149.25 42.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 106.33 2.25 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -150.45 84.3 0.16 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 116.01 29.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -124.99 106.2 9.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.37 -177.0 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.59 114.96 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.67 153.73 22.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -127.49 52.65 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -93.92 154.3 40.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 139.14 23.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.63 147.46 6.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -172.12 -54.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.19 -142.31 6.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.08 105.56 11.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -83.61 73.79 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -105.95 -137.17 8.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.536 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 1.2 pp -138.0 105.18 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 0.802 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -163.07 55.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -128.52 137.48 51.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -41.47 -60.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -54.45 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.536 ' CZ ' HG21 ' A' ' 91' ' ' ILE . 29.2 t80 -57.5 -47.98 80.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.1 mt -57.91 -60.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -46.44 -53.89 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -63.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -54.13 -55.33 28.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -42.24 -65.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -54.44 -50.88 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -41.95 -69.57 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.469 HD23 ' CD2' ' A' ' 56' ' ' PHE . 34.0 mt -48.01 -51.65 23.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.07 -55.19 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -47.93 83.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 12.9 t80 -52.6 -59.54 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.1 tp -61.2 -40.16 84.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -42.07 61.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -37.95 21.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -58.15 -51.83 66.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.475 ' CB ' HD23 ' A' ' 11' ' ' LEU . . . -48.3 -56.8 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.7 -32.06 0.82 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.423 ' CE1' HG23 ' A' ' 69' ' ' ILE . 8.3 t-80 -56.96 132.12 79.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 109.598 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.9 mt -51.21 -40.61 59.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.9 69.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.231 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 53.6 mt-30 -52.37 -21.22 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -92.97 -42.99 9.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -46.01 146.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -34.22 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 11.5 p -53.04 -35.59 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.7 tp -73.82 -56.58 4.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 127' ' ' LEU . 17.9 m-70 -40.74 -48.08 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -52.5 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 59' ' ' LEU . 13.4 t80 -38.16 -34.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 124' ' ' HIS . 3.4 mt -113.88 158.46 21.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 76.51 -55.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.24 150.15 38.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -79.88 -70.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.231 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.06 133.28 45.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 133' ' ' ASP . 49.0 mt -77.65 163.95 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.487 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 1.1 m-20 -127.97 114.34 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.452 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -82.64 49.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -176.71 42.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.426 ' C ' ' CD1' ' A' ' 136' ' ' TYR . 9.1 p90 -82.42 175.6 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.32 116.74 59.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -168.68 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -98.33 129.47 9.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.84 163.49 39.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.4 p -88.37 87.14 7.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 89.69 114.98 1.52 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.3 13.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 16.3 p -163.52 -59.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.07 -59.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.86 119.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.015 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -158.85 165.84 33.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.71 102.27 0.77 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.6 131.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 0.733 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 p -154.1 164.21 38.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.68 -126.16 1.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.84 152.9 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -62.04 150.45 38.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 21.9 p90 -147.17 124.83 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' A' ' 112' ' ' ALA . 3.8 tp -121.61 108.81 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -132.63 162.08 32.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.478 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.59 149.88 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.7 131.2 53.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.7 99.55 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -152.52 -174.96 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 69.33 66.67 0.47 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 131.97 14.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -135.65 116.48 14.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.8 m -86.27 154.92 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.377 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.55 HG12 ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -112.06 161.91 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.473 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -50.32 160.82 1.23 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -43.15 164.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 0.77 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.27 44.13 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 60.75 120.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' ARG . . . 44.51 58.6 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.9 ptp180 -37.54 155.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CE1' HG12 ' A' ' 21' ' ' VAL . 6.8 p90 -139.27 174.45 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.3 m -141.33 167.19 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.467 HG22 ' CD ' ' A' ' 50' ' ' ARG . 60.3 p -127.57 -175.29 3.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -149.52 153.77 37.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.12 99.82 7.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.2 t -80.95 98.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -108.55 99.9 9.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.571 ' HE1' ' CD2' ' A' ' 42' ' ' PHE . 4.1 ttp -93.15 143.73 25.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -134.17 140.06 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 t -169.64 163.04 10.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -127.33 17.13 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.8 mt -83.8 155.76 64.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.5 Cg_endo -74.96 -38.56 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.63 HG13 ' CD1' ' A' ' 42' ' ' PHE . 7.9 pt -38.59 -44.77 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.63 ' CD1' HG13 ' A' ' 41' ' ' ILE . 84.4 m-85 -84.87 137.77 32.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -82.68 -45.44 14.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -92.37 143.52 26.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -81.99 -42.39 19.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 1.6 tm-20 -151.32 141.75 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.88 169.62 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.461 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 29.6 p -136.54 146.46 46.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 108.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 48' ' ' CYS . 35.6 m -156.31 -179.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.468 ' O ' ' CZ ' ' A' ' 51' ' ' ARG . 3.2 ttt180 -109.79 116.88 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' CZ ' ' O ' ' A' ' 50' ' ' ARG . 14.4 mmp_? -129.81 141.89 50.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' NH2' ' OD2' ' A' ' 55' ' ' ASP . 7.9 mtm180 -110.9 156.18 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -51.0 -27.15 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 t -74.65 -46.76 35.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' OD2' ' NH2' ' A' ' 52' ' ' ARG . 89.6 m-20 -48.29 -48.25 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -53.71 -49.33 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -49.12 -49.73 40.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.595 ' CZ3' ' SG ' ' A' ' 122' ' ' CYS . 30.9 t90 -55.23 -53.45 55.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.046 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.508 HD23 ' CG ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -56.77 -53.51 56.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.446 ' CG ' HG13 ' A' ' 71' ' ' VAL . 4.9 tttt -46.06 -58.08 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' GLU . 17.7 t30 -50.76 -53.44 31.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -45.88 -31.57 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 120' ' ' GLU . 46.1 mt -81.57 -36.19 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.4 mt-10 -83.45 45.44 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.57 -66.83 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t70 176.62 87.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.418 ' CB ' HG13 ' A' ' 69' ' ' ILE . 20.9 t -159.81 27.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt 46.86 25.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.418 HG13 ' CB ' ' A' ' 67' ' ' SER . 10.0 mt -83.1 134.79 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -100.51 101.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.446 HG13 ' CG ' ' A' ' 60' ' ' LYS . 59.4 t -96.14 140.66 22.35 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.489 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.05 158.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.61 30.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.421 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 14.9 mt -86.77 142.35 34.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 86.79 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 77' ' ' LYS . . . -131.13 -94.37 0.65 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 76' ' ' GLY . 0.4 OUTLIER 85.87 -64.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 109.244 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.46 127.5 39.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.63 175.07 9.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.94 75.75 3.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.96 158.11 37.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -177.84 134.84 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 142.2 28.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 111.96 3.45 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.786 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 40.7 t80 179.47 121.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.65 164.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.73 116.62 1.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -174.03 136.96 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -122.04 -60.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.81 -126.76 1.78 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.457 HD11 ' CZ ' ' A' ' 96' ' ' PHE . 1.3 pp -139.45 108.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.459 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 27.2 p90 -143.07 62.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -121.97 145.16 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -56.33 -51.34 68.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -47.58 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.457 ' CZ ' HD11 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -59.06 -51.86 68.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 53.3 mt -49.56 -48.98 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.09 -60.4 3.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -42.0 -56.23 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -63.4 -55.2 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.268 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.0 ttp-105 -48.13 -67.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.12 -46.96 86.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . -45.14 -53.41 7.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.6 mt -58.84 -54.24 49.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.407 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.7 OUTLIER -45.02 -43.25 9.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -53.58 46.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.489 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -50.24 -55.08 16.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 5.0 tp -62.7 -43.07 98.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -47.78 -40.33 20.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -85.74 -42.53 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.468 HD12 ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -54.1 -46.59 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' A' ' 11' ' ' LEU . . . -55.12 -62.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.76 -34.0 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -55.71 126.84 65.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.618 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -43.53 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.59 -27.94 65.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -83.47 -44.45 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.454 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 48.9 mt-30 -51.3 -23.05 3.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -89.41 -35.2 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.47 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 65.2 mm-40 -53.57 135.77 39.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -74.56 -40.38 61.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.595 ' SG ' ' CZ3' ' A' ' 58' ' ' TRP . 53.5 t -45.25 -52.73 9.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.13 -55.19 38.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' LEU . 12.7 m-70 -45.45 -49.05 13.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.625 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' LEU . 1.4 ttm -63.0 -57.61 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.508 ' CG ' HD23 ' A' ' 59' ' ' LEU . 26.9 t80 -37.84 -30.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 125' ' ' MET . 2.7 mt -112.26 153.99 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 75.22 -55.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.19 144.77 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -83.62 -68.97 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.352 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.43 133.21 35.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 126' ' ' PHE . 30.1 mt -98.4 150.73 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.412 ' N ' HG22 ' A' ' 132' ' ' ILE . 62.3 m-20 -113.07 112.94 24.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -76.7 54.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -179.4 43.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 136' ' ' TYR . 3.5 p90 -91.28 169.22 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 75.9 t -122.41 128.3 25.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.18 42.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.441 1.758 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -81.78 110.51 3.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 125.66 24.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.2 p 56.62 85.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -86.54 129.26 9.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 117.41 4.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.464 1.771 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 t -110.58 143.29 41.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.8 m -81.28 114.73 20.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.442 1.088 . . . . 0.0 110.983 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -162.94 140.36 7.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.994 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.15 172.75 6.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.36 90.91 0.35 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.47 167.2 31.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -170.23 142.58 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.01 -142.68 36.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.42 111.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.09 138.32 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 5.7 p90 -150.3 124.21 9.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.55 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 7.0 tp -121.26 102.69 8.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -135.08 160.08 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.08 153.4 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -118.2 140.08 50.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mm -128.3 99.22 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -153.1 -174.35 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 68.85 64.22 0.57 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.4 Cg_endo -74.98 92.36 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -96.02 143.38 27.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.402 ' OG1' ' OG1' ' A' ' 29' ' ' THR . 11.5 m -132.78 123.05 25.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.572 HG13 ' CE2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -108.87 162.9 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.493 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -82.76 125.07 6.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.46 ' CG2' ' C ' ' A' ' 22' ' ' GLY . 2.9 t -152.7 155.1 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 23' ' ' VAL . . . 35.29 -106.1 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.75 -47.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' ARG . . . -87.83 13.8 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER 34.89 -152.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.244 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 21' ' ' VAL . 3.5 p90 -166.54 172.95 10.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.402 ' OG1' ' OG1' ' A' ' 20' ' ' THR . 97.5 m -140.48 150.98 44.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.42 ' CG2' ' HG3' ' A' ' 50' ' ' ARG . 1.1 p -145.47 138.95 26.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.541 ' CE1' ' HG3' ' A' ' 101' ' ' ARG . 92.8 m-85 -99.49 147.04 25.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.39 97.3 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.68 91.39 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -106.48 122.34 46.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.588 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.7 tmm? -107.65 153.0 23.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -142.58 110.37 5.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.442 HG21 ' CG ' ' A' ' 42' ' ' PHE . 13.0 t -133.98 172.73 12.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -136.81 16.16 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.09 157.02 46.11 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -74.98 -37.97 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.623 HG13 ' CD1' ' A' ' 42' ' ' PHE . 7.7 pt -38.44 -44.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.702 ' CE2' ' CE1' ' A' ' 124' ' ' HIS . 79.8 m-85 -84.33 127.43 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -73.65 -44.47 56.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -92.0 139.45 30.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -75.94 -33.18 59.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -168.0 143.04 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.2 171.04 19.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.4 m -131.46 144.73 51.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 128' ' ' GLN . 15.6 m -146.09 164.06 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.42 ' HG3' ' CG2' ' A' ' 30' ' ' THR . 6.1 ttp180 -106.18 110.74 23.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' NH2' ' HB2' ' A' ' 55' ' ' ASP . 27.4 mmm180 -148.81 135.62 19.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -89.14 -179.55 5.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 1.5 t80 -62.02 -36.93 83.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -41.93 78.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.6 ' OD2' ' CE1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -48.9 -59.56 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.46 ' N ' ' CG ' ' A' ' 55' ' ' ASP . 62.6 m-85 -42.19 -46.79 4.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -42.7 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.576 ' CZ3' HG22 ' A' ' 132' ' ' ILE . 25.8 t90 -65.61 -44.35 86.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 108.004 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -58.63 -51.58 69.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -49.92 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' GLU . 8.3 t30 -46.51 -51.41 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.475 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 5.6 mm-40 -41.17 -29.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 111' ' ' ILE . 29.1 mt -82.78 -46.48 13.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.5 mt-10 -63.98 -36.19 83.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.351 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.07 -67.55 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -137.43 87.18 2.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER 164.05 128.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -86.93 45.48 1.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.56 HG23 ' CE1' ' A' ' 114' ' ' HIS . 7.9 mt -88.67 147.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.2 t -90.33 100.52 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.1 t -93.27 134.86 26.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.94 163.3 35.71 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.18 32.26 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.464 1.77 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.1 mt -93.43 151.64 40.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.83 2.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.48 101.03 0.24 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.01 -67.11 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.7 112.98 21.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 tp -96.41 -70.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 46.4 61.49 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 109.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.28 177.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.27 155.57 6.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 95.95 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.58 -43.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.93 142.32 23.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.98 -75.66 0.42 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -112.18 124.25 52.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 0.807 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -109.19 51.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.91 141.58 9.52 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.2 mp -81.91 74.94 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -46.95 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.28 120.52 2.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -55.18 -51.67 65.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.76 -59.36 4.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -48.69 -43.88 37.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.2 mt -60.72 -59.76 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -51.34 54.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -62.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -60.51 -38.52 84.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.357 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 4.1 ttp180 -56.55 -70.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -55.28 -46.38 76.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.62 -60.01 5.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.9 mt -54.02 -61.97 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.99 -49.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -56.83 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.561 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.3 t80 -47.37 -57.57 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.462 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 3.5 tp -61.26 -40.17 85.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -44.83 64.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -39.33 33.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -57.29 -51.5 68.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.449 ' N ' ' CG2' ' A' ' 111' ' ' ILE . . . -53.16 -54.47 35.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -40.89 -38.68 1.71 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.424 1.078 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.56 ' CE1' HG23 ' A' ' 69' ' ' ILE . 6.5 t-80 -50.09 134.39 22.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 109.56 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 69' ' ' ILE . 7.1 mt -57.8 -37.75 74.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.16 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 69.0 mt-30 -47.41 -24.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -91.71 -38.63 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -50.26 139.74 14.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -86.31 -44.57 11.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 23.2 p -43.24 -38.44 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.242 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.27 -60.75 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.702 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 99.1 m-70 -51.7 -54.09 32.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.41 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.8 OUTLIER -45.45 -57.32 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.6 ' CE1' ' OD2' ' A' ' 55' ' ' ASP . 2.2 t80 -51.39 -37.02 46.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.494 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 51.5 mt -83.6 -89.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.495 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 84.8 mt-30 -36.84 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.04 144.34 49.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.91 -74.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.86 124.34 24.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.576 HG22 ' CZ3' ' A' ' 58' ' ' TRP . 9.9 mt -84.55 110.26 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -70.94 115.82 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -81.61 7.89 11.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.44 25.41 3.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -178.18 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.1 t -115.86 118.61 38.42 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.33 17.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.11 126.55 6.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -66.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -70.5 159.44 34.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 168.25 83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 84.95 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 90.8 p -98.95 104.85 16.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 85.6 p -56.13 101.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.97 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 63.17 117.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.04 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.3 144.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.43 129.49 5.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -172.9 145.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.048 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -174.11 162.05 3.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.08 177.67 28.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -53.27 158.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -61.6 148.33 42.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 8.6 p90 -156.69 124.02 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.49 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -124.43 115.54 21.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -137.57 157.9 45.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.49 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.5 mt -136.7 162.25 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.449 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 25.8 m-20 -142.65 146.83 34.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 31' ' ' TYR . 2.0 mt -130.3 102.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -152.02 -173.81 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.8 m-20 67.52 62.62 0.75 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.99 104.84 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.65 116.79 30.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.3 m -93.75 155.62 17.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.577 HG11 ' CE1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -111.33 166.32 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -50.0 -177.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 24' ' ' GLY . 56.5 t 58.1 161.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -135.38 -167.81 11.43 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.83 -73.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.738 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -98.34 24.14 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -74.99 164.48 26.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.577 ' CE1' HG11 ' A' ' 21' ' ' VAL . 3.8 p90 -138.61 174.67 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.6 m -140.89 159.03 43.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 p -118.57 127.76 53.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.475 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 67.0 m-85 -100.49 131.42 46.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -77.26 117.36 18.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.32 101.41 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -100.14 107.46 19.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.64 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.6 ttp -108.05 143.5 36.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' N ' ' HG2' ' A' ' 35' ' ' MET . 11.8 mtp180 -137.53 139.14 40.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.537 HG23 ' CD1' ' A' ' 42' ' ' PHE . 3.4 t -167.16 169.7 12.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -129.36 9.78 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.9 mt -79.99 153.27 74.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.02 -37.84 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.589 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.0 pt -38.3 -43.28 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.64 ' CD2' ' CE ' ' A' ' 35' ' ' MET . 80.0 m-85 -81.48 139.15 35.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -80.88 -52.35 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.6 mt -91.45 122.31 33.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -61.12 -37.3 82.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -159.92 144.6 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.96 168.94 25.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -134.05 97.83 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 127' ' ' LEU . 15.9 m -116.11 147.68 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -105.91 140.41 38.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -147.4 166.76 26.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -100.32 174.19 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -68.53 -26.5 65.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -41.47 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 126' ' ' PHE . 20.8 t0 -42.36 -45.94 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' CD1' HD21 ' A' ' 104' ' ' LEU . 46.0 m-85 -59.31 -43.94 92.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.51 -35.63 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.472 ' CE2' ' OE1' ' A' ' 62' ' ' GLU . 35.5 t90 -73.58 -50.01 23.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -55.66 -50.08 71.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -50.83 -60.76 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLU . 47.9 t-20 -44.82 -58.57 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.472 ' OE1' ' CE2' ' A' ' 58' ' ' TRP . 1.1 mp0 -39.52 -33.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 111' ' ' ILE . 79.7 mt -85.36 -46.66 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' ASN . 3.0 mt-10 -59.52 -17.59 33.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.245 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.36 -67.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 167.17 101.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.4 t -165.77 30.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mttp 49.92 23.31 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.8 mt -91.37 134.95 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.2 t -101.42 100.73 10.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.7 t -92.29 137.22 24.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 165.8 30.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.86 41.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.1 mt -96.28 146.96 32.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 104.24 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.25 -83.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.26 118.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -136.58 150.95 48.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.8 105.48 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt 66.08 136.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.61 91.66 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -45.08 167.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 77.4 mt -59.88 154.0 50.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 58.0 4.74 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.463 1.77 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.63 167.13 11.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -63.16 103.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.88 60.01 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -148.86 125.84 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.74 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -59.72 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 95.51 112.2 2.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.2 mm -79.44 -63.48 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.6 t80 52.35 97.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -161.64 144.7 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -40.72 -60.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -47.52 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -56.13 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mt -55.86 -43.1 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.373 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -60.64 3.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -50.14 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -71.59 -59.53 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.09 -61.28 1.02 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -59.79 -42.8 94.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.65 -50.09 50.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.423 HD21 ' CD1' ' A' ' 56' ' ' PHE . 41.6 mt -61.25 -44.98 96.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.08 -51.65 63.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -51.41 68.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 7.2 t80 -49.78 -59.21 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.443 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 3.2 tp -62.49 -44.65 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.92 -36.67 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.95 -43.14 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.486 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -53.9 -45.92 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.91 -65.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.42 -36.27 0.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -46.16 131.89 7.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.591 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -39.85 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.486 1.782 . . . . 0.0 111.058 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.465 ' CB ' HG12 ' A' ' 69' ' ' ILE . 7.0 mt -62.74 -32.49 73.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.36 24.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 39.6 mt-30 -54.36 -21.85 10.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -90.75 -33.16 15.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.61 135.45 57.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -28.46 23.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -45.9 90.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.435 ' HG ' ' CD1' ' A' ' 127' ' ' LEU . 0.7 OUTLIER -54.84 -63.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.414 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 92.3 m-70 -39.18 -58.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.572 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.482 ' HG2' ' CG ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -46.34 -54.26 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.594 ' CE2' ' OD2' ' A' ' 55' ' ' ASP . 3.0 t80 -60.13 -31.8 70.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.447 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 47.6 mt -75.96 -51.79 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.48 ' O ' ' O ' ' A' ' 129' ' ' GLU . 60.8 mt-30 -116.6 -128.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.332 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.482 ' CG ' ' HG2' ' A' ' 125' ' ' MET . 0.0 OUTLIER 58.29 134.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -42.39 -52.64 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -154.69 135.24 13.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 133' ' ' ASP . 15.3 mt -54.14 164.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.481 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 33.2 t0 -142.5 122.34 13.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.45 40.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -173.77 36.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 136' ' ' TYR . 0.1 OUTLIER -75.07 -175.03 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 55.0 t -129.1 116.77 18.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.55 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -160.73 123.18 1.19 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.94 142.57 3.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.6 t 74.59 166.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -58.29 -85.12 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -58.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.58 130.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -80.74 -58.39 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -168.88 154.09 6.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.74 164.99 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.51 152.92 10.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.36 168.93 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.92 160.33 21.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.0 -172.19 22.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.1 p -47.7 165.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -100.7 164.33 11.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.8 p90 -146.79 124.95 12.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.559 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 6.6 tp -128.79 107.58 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -140.8 164.07 31.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.4 155.04 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -124.12 143.13 50.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 31' ' ' TYR . 2.8 mt -135.7 103.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 17' ' ' ASN . 43.8 p90 -151.99 -173.8 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.515 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 2.8 t-20 65.88 59.67 1.12 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.1 Cg_endo -75.07 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.542 1.812 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.58 140.12 39.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -90.69 150.19 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.5 ' CG2' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -122.31 166.62 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.38 -171.04 0.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.6 t -95.38 161.95 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -49.42 172.26 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 83.62 104.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 52.36 32.05 10.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' NE ' ' HA2' ' A' ' 24' ' ' GLY . 6.2 ptp180 -78.29 175.42 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.5 ' CZ ' ' CG2' ' A' ' 21' ' ' VAL . 3.9 p90 -143.81 174.43 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -137.3 166.3 24.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.394 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.48 HG21 ' CG ' ' A' ' 50' ' ' ARG . 7.0 p -122.27 -177.62 3.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.457 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 82.2 m-85 -150.78 139.9 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.02 96.28 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.3 t -80.89 91.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.84 128.45 54.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.589 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 4.9 tmm? -115.05 154.8 28.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -143.17 117.05 9.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.423 HG21 ' CG ' ' A' ' 42' ' ' PHE . 6.7 t -147.95 169.5 19.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -131.7 8.67 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.7 mt -77.92 154.27 80.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.99 -37.99 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.614 HG13 ' CD1' ' A' ' 42' ' ' PHE . 7.5 pt -39.21 -44.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.614 ' CD1' HG13 ' A' ' 41' ' ' ILE . 80.6 m-85 -83.11 133.69 35.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -71.68 -66.5 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -77.48 150.93 34.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -90.49 -35.54 15.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CG ' ' HG3' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -147.38 130.78 16.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.79 164.22 38.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.485 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 20.1 p -135.32 156.54 48.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 108.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 48' ' ' CYS . 18.3 m -158.29 154.32 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CG ' HG21 ' A' ' 30' ' ' THR . 0.0 OUTLIER -111.53 131.76 55.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.439 ' NH2' HD11 ' A' ' 132' ' ' ILE . 0.0 OUTLIER -160.28 166.02 30.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 20.0 mtm105 -87.44 179.93 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -66.13 -47.45 74.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' GLU . 14.4 m -50.34 -21.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 56' ' ' PHE . 8.8 p-10 -48.02 -36.78 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.604 ' CD2' ' OD1' ' A' ' 55' ' ' ASP . 68.3 m-85 -76.57 -25.99 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' SER . 14.1 mt-10 -71.35 -24.26 62.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.431 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 41.3 t90 -90.65 -37.82 13.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.536 HD22 ' CE2' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -64.54 -54.84 25.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -46.81 -63.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 4.5 t-20 -45.68 -48.7 14.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.1 mm-40 -45.85 -28.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.5 ' CD1' HD12 ' A' ' 111' ' ' ILE . 79.5 mt -84.61 -45.18 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.07 -16.42 31.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.05 -40.03 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.96 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 69' ' ' ILE . 0.3 OUTLIER -136.82 57.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER 40.46 32.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 70' ' ' VAL . 6.6 mt -39.55 151.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.093 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.429 ' N ' HG22 ' A' ' 69' ' ' ILE . 74.4 t -77.55 108.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 6.6 t -118.82 135.87 23.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.557 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.01 164.89 32.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.92 36.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.424 HD23 ' CB ' ' A' ' 56' ' ' PHE . 10.0 mt -86.55 147.35 43.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.0 1.19 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.99 126.79 3.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.2 -66.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.38 147.41 10.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.2 72.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.2 163.79 12.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 138.46 31.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -75.91 169.41 18.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -112.87 145.56 33.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.408 ' N ' ' HG ' ' A' ' 83' ' ' LEU . 18.5 Cg_endo -74.96 177.91 7.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 56.09 107.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 50.03 96.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.48 56.08 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.77 146.85 41.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -168.41 -49.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.36 86.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.567 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 0.6 OUTLIER 40.32 78.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -132.32 -62.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.93 119.13 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -44.57 -36.38 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -61.15 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.05 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 91' ' ' ILE . 81.3 t80 -44.15 -45.86 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.7 mt -65.25 -61.5 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.93 -52.07 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -63.74 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -44.64 96.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -49.54 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -52.42 -39.97 61.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.81 -57.1 19.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.568 HD22 ' CD2' ' A' ' 56' ' ' PHE . 39.2 mt -58.24 -62.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.42 -45.09 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -62.52 -56.08 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.1 t80 -45.91 -56.51 5.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.483 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 3.7 tp -62.77 -44.16 99.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.14 -36.72 13.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -42.66 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -55.03 -43.93 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.408 ' CB ' HD21 ' A' ' 11' ' ' LEU . . . -53.59 -56.31 18.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.259 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.93 -43.47 2.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.414 ' NE2' ' HB ' ' A' ' 70' ' ' VAL . 7.2 t-80 -43.43 132.87 3.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 0.796 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -46.22 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.28 -35.69 65.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.06 -44.94 52.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.475 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 58.5 mt-30 -52.94 -21.6 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -92.82 -35.04 13.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -64.9 121.17 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -29.62 68.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.81 -23.62 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.7 tp -79.23 -49.03 13.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.539 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 72.9 m-70 -63.4 -55.95 20.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -24.04 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.536 ' CE2' HD22 ' A' ' 59' ' ' LEU . 55.7 t80 -85.67 -8.9 57.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.413 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 31.8 mt -107.36 -94.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.443 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 42.8 mt-30 -39.83 -66.16 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.32 115.45 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.442 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 3.0 pm0 -67.27 -47.37 70.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.98 126.14 48.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.439 HD11 ' NH2' ' A' ' 51' ' ' ARG . 21.5 mt -91.07 137.13 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 134' ' ' ARG . 32.1 t70 -103.57 79.59 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 133' ' ' ASP . 2.7 mtt180 -35.18 150.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 135' ' ' ASN . 16.8 t30 46.43 67.48 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -98.15 172.08 7.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 69.3 t -102.76 117.87 59.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.17 42.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -132.88 6.5 5.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.46 -66.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.76 112.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -74.33 -169.62 21.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.7 142.35 30.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 95.6 p -111.45 93.16 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -175.17 145.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p 178.59 156.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.36 -163.39 17.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.465 1.103 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 p -178.0 121.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.753 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.85 157.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.46 129.82 1.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.1 m -113.41 167.5 10.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -82.46 151.22 26.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 9.2 p90 -156.63 128.36 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.559 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 3.4 tp -125.2 105.55 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.01 158.5 44.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.432 HD11 ' CG1' ' A' ' 108' ' ' ILE . 3.2 mt -127.24 153.3 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -119.09 147.75 43.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.434 HG13 ' CA ' ' A' ' 105' ' ' GLU . 5.9 mm -133.56 98.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -152.65 -174.14 4.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.511 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.7 t30 64.94 59.28 1.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.02 113.01 3.69 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.49 141.45 47.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.457 ' CG2' ' HD3' ' A' ' 27' ' ' ARG . 49.9 m -91.46 147.85 22.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.646 ' CG2' ' CE2' ' A' ' 28' ' ' PHE . 2.9 t -116.75 166.13 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.39 144.07 15.75 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 24' ' ' GLY . 5.2 p -163.98 169.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 23' ' ' VAL . . . -32.5 -83.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.22 94.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 27' ' ' ARG . . . -179.06 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HD3' ' CG2' ' A' ' 20' ' ' THR . 7.2 ttm-85 56.84 154.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.646 ' CE2' ' CG2' ' A' ' 21' ' ' VAL . 1.2 p90 -162.51 165.12 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.22 143.02 45.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.595 HG23 ' CE1' ' A' ' 28' ' ' PHE . 53.6 p -99.61 -178.16 3.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.47 ' CE1' ' HG3' ' A' ' 101' ' ' ARG . 61.1 m-85 -150.95 133.31 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.11 105.58 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 t -83.58 91.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -98.6 102.49 14.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 2.9 tmm? -97.91 154.74 17.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' SD ' ' A' ' 35' ' ' MET . 20.2 mtp180 -149.56 115.58 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.436 HG21 ' CG ' ' A' ' 42' ' ' PHE . 9.1 t -136.17 172.62 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -134.36 16.99 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.4 mt -91.68 154.66 44.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -74.94 -37.59 2.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.617 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.2 pt -37.77 -44.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CD1' HG13 ' A' ' 41' ' ' ILE . 81.4 m-85 -82.61 138.26 34.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -75.04 -51.34 13.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 mt -92.29 139.17 30.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -72.78 -31.16 64.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.91 142.1 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -156.2 165.91 35.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.83 141.33 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.0 m -145.45 165.74 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.82 109.66 15.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.27 151.24 49.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG2' ' CE1' ' A' ' 28' ' ' PHE . 74.2 mtm180 -79.7 158.48 26.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -47.93 -44.14 29.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.8 m -47.48 -26.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.6 ' OD1' ' CD2' ' A' ' 56' ' ' PHE . 3.8 p-10 -55.93 -35.99 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.6 ' CD2' ' OD1' ' A' ' 55' ' ' ASP . 52.2 m-85 -73.28 -49.21 28.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -50.19 -25.54 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.546 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 70.4 t90 -84.99 -54.83 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 108.04 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.569 HD21 ' CZ ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -51.19 -47.06 62.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' HD3' ' CD1' ' A' ' 74' ' ' LEU . 4.8 tttm -60.11 -64.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -47.8 -37.74 14.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.546 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 3.6 mm-40 -51.41 -24.46 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 111' ' ' ILE . 10.5 mt -98.71 -32.37 11.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.95 -39.79 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.415 ' HG2' ' C ' ' A' ' 62' ' ' GLU . 5.1 ptm180 -41.21 -32.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 67' ' ' SER . 2.6 t70 170.31 116.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER 159.74 122.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -17.29 8.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.472 HG12 ' CB ' ' A' ' 116' ' ' LEU . 7.5 mt -45.04 141.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.1 t -98.24 101.77 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 8.9 t -86.97 137.29 33.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.04 166.57 28.87 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 147.02 33.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.453 ' CD1' ' HD3' ' A' ' 60' ' ' LYS . 14.2 mt -94.68 151.48 39.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 112.92 3.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.42 124.17 3.7 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -66.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.77 173.53 15.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.05 64.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 126.63 29.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.77 131.15 17.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.51 -58.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.01 156.86 74.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 73.39 4.32 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.88 109.89 21.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.84 92.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.69 95.35 0.12 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.431 1.082 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' GLU . 13.6 m-20 51.09 89.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -38.64 -55.59 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 91' ' ' ILE . . . 157.24 118.44 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' GLY . 6.6 mt 39.44 87.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -153.48 -49.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.0 151.66 14.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.23 -49.07 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 p -59.43 -59.39 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -41.13 -57.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.2 mt -53.2 -52.37 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -49.76 -50.19 45.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -59.34 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -60.18 -46.27 90.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.47 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 2.4 ttp180 -42.78 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -53.36 -49.39 67.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.0 -66.69 0.65 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.421 1.075 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 80.9 mt -50.7 -61.65 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.434 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.7 tt0 -38.33 -48.21 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -56.81 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.5 t80 -44.8 -58.99 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.432 ' CG1' HD11 ' A' ' 13' ' ' ILE . 7.0 tp -60.73 -43.55 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -41.95 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -42.95 16.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.46 HD13 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -54.81 -36.91 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 114' ' ' HIS . . . -63.96 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.97 -31.26 0.09 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 112' ' ' ALA . 4.0 t-80 -58.27 128.15 81.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.472 ' CB ' HG12 ' A' ' 69' ' ' ILE . 5.4 mt -61.03 -38.87 87.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.05 -44.64 60.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 50.4 mt-30 -49.21 -25.23 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -90.52 -40.28 12.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -45.51 142.78 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.19 -24.77 25.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 27.2 p -61.89 -42.53 99.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 tp -64.53 -53.61 45.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 127' ' ' LEU . 32.6 m-70 -44.86 -55.05 5.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.547 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 127' ' ' LEU . 1.1 ttm -54.85 -56.46 19.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.569 ' CZ ' HD21 ' A' ' 59' ' ' LEU . 46.6 t80 -36.57 -32.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' MET . 3.8 mt -112.78 157.49 21.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 75.27 -55.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.46 130.74 40.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -72.27 -67.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -94.95 127.55 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 59.2 mt -82.28 133.34 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -93.36 80.29 4.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -40.44 144.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 32.8 t30 57.56 59.08 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -88.87 176.19 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.33 125.81 26.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 84.11 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -170.99 115.58 0.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.34 -63.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.2 t -99.59 -58.49 1.92 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.44 -170.05 15.12 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.71 89.27 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.95 94.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.567 1.167 . . . . 0.0 110.945 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.45 98.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.946 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.52 164.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.26 124.1 2.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -169.26 130.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 p -177.26 166.67 2.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.3 150.31 5.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.7 p 49.27 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -60.15 155.05 18.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.0 p90 -158.03 133.61 8.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.476 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 6.0 tp -129.34 102.77 6.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -130.61 164.17 25.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.4 mt -135.58 156.6 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.79 141.7 50.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' A' ' 31' ' ' TYR . 2.1 mm -129.45 98.98 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -153.32 -174.34 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 4.3 t-20 68.24 62.32 0.68 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.03 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.25 119.49 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 m -85.51 152.22 23.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.629 ' CG2' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -122.53 166.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.37 169.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.4 t -134.97 142.39 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.01 -174.68 31.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.73 167.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 52.46 69.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.22 150.84 35.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.629 ' CZ ' ' CG2' ' A' ' 21' ' ' VAL . 6.5 p90 -143.77 172.84 12.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 m -143.03 167.3 22.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.5 p -137.92 156.43 47.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.444 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 58.1 m-85 -120.03 143.45 48.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.82 96.56 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 51' ' ' ARG . 6.8 t -77.57 91.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.57 99.41 11.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.569 ' HE1' ' CD2' ' A' ' 42' ' ' PHE . 9.7 ttp -93.83 143.84 25.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.417 ' N ' ' HG2' ' A' ' 35' ' ' MET . 29.8 ptt180 -140.79 145.19 36.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.5 t -172.97 162.81 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.406 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -120.72 14.77 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.2 mt -82.69 154.08 68.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.5 Cg_endo -74.97 -37.13 2.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.624 HG13 ' CD1' ' A' ' 42' ' ' PHE . 8.1 pt -37.76 -44.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.624 ' CD1' HG13 ' A' ' 41' ' ' ILE . 83.4 m-85 -84.67 151.16 24.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -94.97 -42.57 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -97.18 141.74 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -88.33 -35.97 16.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.79 126.37 15.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.227 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.12 163.1 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.4 145.36 47.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 108.359 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.6 m -152.72 163.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -87.62 127.91 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.48 ' HD3' ' CZ ' ' A' ' 126' ' ' PHE . 12.0 mmp_? -139.74 127.17 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -109.48 164.1 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 50.3 t80 -50.04 -38.26 37.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -48.07 71.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.24 -55.22 13.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CD2' HD22 ' A' ' 104' ' ' LEU . 34.3 m-85 -47.7 -51.15 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.02 -54.67 6.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.446 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 48.6 t90 -50.67 -49.06 58.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 108.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.565 HD21 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -56.88 -49.81 74.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -58.02 -62.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.47 -51.58 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.446 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 30.6 mm-40 -40.45 -41.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.473 ' CD1' HD13 ' A' ' 111' ' ' ILE . 64.9 mt -68.77 -59.55 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -47.99 -30.75 4.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -46.85 75.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -156.9 101.93 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 0.1 OUTLIER 179.4 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.999 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 67' ' ' SER . 0.2 OUTLIER 76.8 -46.47 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.472 HG23 ' CE1' ' A' ' 114' ' ' HIS . 3.3 mt -36.86 152.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.6 t -90.11 103.81 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 72' ' ' PRO . 13.0 t -82.62 140.49 44.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.575 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.97 163.49 35.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.443 1.759 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.8 42.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 mt -100.86 151.24 37.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.592 ' O ' ' CE1' ' A' ' 53' ' ' TYR . 18.2 Cg_endo -75.04 112.82 3.65 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.456 1.766 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 77' ' ' LYS . . . 161.98 -86.88 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER 88.01 160.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.28 172.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 tp -178.76 154.5 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -37.91 68.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 47.08 74.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -75.5 137.39 40.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.0 mt -56.37 155.43 13.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.92 2.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.07 -43.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.3 -50.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -118.0 139.29 14.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.63 161.51 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.25 -58.1 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.64 123.09 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.7 mt -84.78 78.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 0.722 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -131.0 -51.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -39.01 130.78 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -61.57 -52.14 65.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.29 -51.77 18.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -51.41 -44.7 62.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.6 mt -60.58 -52.14 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.14 -58.76 6.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -62.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.42 -47.85 84.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -50.22 -60.2 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -64.81 -47.61 77.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -43.99 -62.88 2.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 56' ' ' PHE . 26.2 mt -52.59 -55.95 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 1.6 tt0 -49.17 -49.1 44.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -43.29 96.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.9 t80 -62.42 -60.21 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.434 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 5.7 tp -58.98 -28.26 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 105' ' ' GLU . 0.7 OUTLIER -60.22 -61.07 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -37.82 88.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -61.55 -53.91 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.431 ' N ' ' CG2' ' A' ' 111' ' ' ILE . . . -52.42 -63.09 1.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ALA . . . -37.63 -34.85 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.472 ' CE1' HG23 ' A' ' 69' ' ' ILE . 3.1 t-80 -53.11 126.28 43.69 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.567 0.804 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.3 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mt -62.31 -38.04 87.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -72.47 -43.13 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.463 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 52.6 mt-30 -46.73 -24.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -89.43 -37.02 15.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 117' ' ' ALA . 45.0 mm-40 -48.58 133.96 16.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -78.9 -45.4 20.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.8 p -44.13 -45.82 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.272 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' HIS . 1.9 tp -64.13 -60.93 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' LEU . 5.4 m-70 -39.25 -48.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.4 OUTLIER -58.51 -54.34 48.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.565 ' CD2' HD21 ' A' ' 59' ' ' LEU . 58.0 t80 -37.92 -32.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 128' ' ' GLN . 2.6 mt -109.06 160.22 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 127' ' ' LEU . 74.0 mt-30 72.57 -56.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.77 107.15 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -49.67 51.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -111.92 126.78 55.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 126' ' ' PHE . 41.6 mt -79.44 112.16 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 135' ' ' ASN . 58.6 m-20 -75.21 96.25 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -67.39 70.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.0 OUTLIER 176.06 40.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -94.69 173.41 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 65.5 t -119.38 119.3 31.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -123.47 124.91 5.73 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 107.28 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.1 p -99.9 83.1 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.051 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 164.76 150.2 6.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 144' ' ' SER . 18.3 Cg_endo -74.98 71.85 4.84 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 143' ' ' PRO . 9.1 t 54.34 104.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.38 85.88 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -146.62 121.27 9.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m 58.58 158.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.41 63.94 0.18 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.87 127.92 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -126.24 141.76 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.38 -153.34 10.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.1 m -71.13 165.73 22.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 109.958 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -109.34 158.55 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.4 p90 -157.98 122.93 4.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.567 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 3.3 tp -118.99 110.11 16.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.11 159.91 40.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.99 140.68 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.16 140.23 48.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mt -128.16 102.77 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -147.39 -174.49 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.44 65.58 0.9 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.12 25.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.92 122.66 9.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.0 m -79.72 141.43 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.601 ' CG1' ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.19 164.75 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.259 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.519 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 68.45 153.69 0.54 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.1 t -137.85 139.91 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.243 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.25 -90.26 0.09 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.88 -54.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.13 43.78 1.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -45.55 170.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.601 ' CZ ' ' CG1' ' A' ' 21' ' ' VAL . 3.2 p90 -131.9 173.87 10.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -132.14 160.94 34.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.47 HG21 ' CE2' ' A' ' 28' ' ' PHE . 76.2 p -115.95 169.25 9.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -148.3 139.3 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' OE1' ' CA ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -78.11 118.16 20.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.5 t -97.15 102.15 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -107.83 105.34 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.42 ' CE ' HG22 ' A' ' 37' ' ' THR . 3.0 tmm? -101.95 154.13 19.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' N ' ' SD ' ' A' ' 35' ' ' MET . 1.1 mtm180 -151.85 110.48 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.42 HG22 ' CE ' ' A' ' 35' ' ' MET . 12.2 t -132.74 166.36 22.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -125.25 20.64 8.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.8 mt -92.43 153.6 42.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.98 -37.92 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.619 HG13 ' CD1' ' A' ' 42' ' ' PHE . 9.2 pt -38.35 -44.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.619 ' CD1' HG13 ' A' ' 41' ' ' ILE . 84.7 m-85 -82.87 129.17 34.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -67.14 -54.57 20.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mt -88.77 150.12 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -89.56 -40.58 12.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -145.65 141.03 27.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 t -156.88 166.97 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t -133.94 124.61 26.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 108.291 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.1 m -145.16 167.32 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -111.42 130.01 55.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.404 ' NH1' ' O ' ' A' ' 130' ' ' GLU . 33.4 mmt180 -135.51 128.07 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.558 ' HG2' ' CE2' ' A' ' 28' ' ' PHE . 7.3 mtm180 -83.63 165.79 18.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.457 ' CD1' ' HD2' ' A' ' 100' ' ' ARG . 47.1 t80 -58.91 -24.09 61.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.9 m -74.7 -51.5 14.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -43.19 -44.86 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.554 ' CD2' HD21 ' A' ' 104' ' ' LEU . 20.8 m-85 -58.26 -45.09 88.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.38 -49.04 73.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.56 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 16.5 t90 -63.91 -34.54 78.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.522 HD21 ' CG ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -65.93 -50.8 63.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 63' ' ' LEU . 13.2 tttm -58.84 -61.97 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.46 -34.81 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.56 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.6 mm-40 -60.37 -37.3 80.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -84.39 -8.04 59.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.37 50.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.88 -67.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 166.19 82.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 m -150.67 20.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mttt 59.88 15.56 5.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.474 HG12 ' CD1' ' A' ' 116' ' ' LEU . 3.9 mt -70.3 137.15 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.65 105.08 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 72' ' ' PRO . 4.1 t -98.86 140.25 21.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.1 Cg_endo -75.05 160.87 39.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.4 35.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.813 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 18.8 mt -93.78 143.27 26.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.441 ' O ' ' CE1' ' A' ' 53' ' ' TYR . 18.3 Cg_endo -74.96 109.99 3.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 77' ' ' LYS . . . 172.12 -141.58 6.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER 84.48 81.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -133.0 129.19 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.52 66.43 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.9 mttp 55.6 83.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -93.05 -67.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -165.76 99.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.544 ' CD2' ' O ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -51.97 155.49 3.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.544 ' O ' ' CD2' ' A' ' 83' ' ' LEU . 18.4 Cg_endo -74.96 -159.81 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -160.5 101.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.48 -61.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -168.31 -96.52 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 93.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -81.5 72.07 8.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.46 -152.54 5.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.64 ' CD1' ' CE2' ' A' ' 96' ' ' PHE . 26.9 mm -87.2 82.76 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -139.46 85.57 2.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -156.6 140.5 16.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.45 -59.88 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.4 OUTLIER -47.59 -61.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.64 ' CE2' ' CD1' ' A' ' 91' ' ' ILE . 30.8 t80 -43.6 -52.41 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.7 mt -56.1 -35.3 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 95' ' ' SER . 17.3 tt0 -74.34 -57.17 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.33 -48.24 9.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.457 ' HD2' ' CD1' ' A' ' 53' ' ' TYR . 7.2 tpp180 -65.84 -50.72 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -51.73 -68.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -54.59 -38.96 67.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.44 -62.3 5.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.554 HD21 ' CD2' ' A' ' 56' ' ' PHE . 55.2 mt -51.81 -48.15 63.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.54 -55.47 18.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -55.43 -47.87 75.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 6.3 t80 -54.07 -59.01 5.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.443 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 4.6 tp -61.16 -42.15 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.41 ' N ' HG22 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -49.94 -39.77 41.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -40.72 15.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -56.59 -48.04 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -58.47 -47.28 84.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -48.27 -35.47 14.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -55.35 135.85 69.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.447 1.761 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 69' ' ' ILE . 7.4 mt -56.7 -37.14 70.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.03 -44.68 68.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 63.1 mt-30 -52.74 -24.21 8.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -92.28 -31.78 15.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -54.32 140.21 34.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.2 -48.97 9.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 24.9 p -44.11 -33.61 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 108.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.71 -52.08 28.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -55.96 -28.97 59.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.457 ' CE ' ' CD2' ' A' ' 136' ' ' TYR . 0.0 OUTLIER -72.76 -31.05 64.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.522 ' CG ' HD21 ' A' ' 59' ' ' LEU . 43.7 t80 -70.1 -20.06 63.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.0 mt -116.0 150.99 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 77.09 -54.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.251 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.09 153.64 30.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.404 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 19.3 tp10 -93.02 -61.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.56 129.21 45.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 16.7 mt -84.13 114.96 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -72.03 79.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -38.24 157.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 135' ' ' ASN . 18.7 t30 42.43 67.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.457 ' CD2' ' CE ' ' A' ' 125' ' ' MET . 44.2 p90 -96.09 -178.78 4.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.04 114.48 63.64 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -164.52 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.18 -138.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 119.95 9.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -175.69 170.15 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -74.01 156.61 50.56 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 41.3 t -137.24 141.41 42.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.3 t -147.3 114.44 6.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 m 62.44 154.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.054 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.25 151.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.83 126.35 0.86 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -136.97 103.45 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.1 162.7 40.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.57 85.51 0.15 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 t -179.47 119.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.993 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -83.5 146.17 28.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.8 p90 -157.26 122.42 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.559 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 4.0 tp -120.73 104.62 10.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -132.19 157.88 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 mt -129.13 152.23 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.7 139.48 53.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 mt -130.87 102.49 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -151.29 -174.9 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER 66.42 64.46 0.83 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -75.04 145.65 31.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.26 117.71 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 27' ' ' ARG . 4.5 m -78.11 137.16 38.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.515 ' CG2' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -141.49 164.54 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.12 153.16 20.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.097 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.5 t -140.02 139.88 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.55 -89.39 0.48 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.73 172.51 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.341 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 43.04 69.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 20' ' ' THR . 0.0 OUTLIER -76.48 166.8 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -150.78 174.41 13.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 t -139.55 166.6 24.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.9 p -121.4 -177.75 3.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -150.78 151.12 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.99 99.07 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.412 HG12 ' CD2' ' A' ' 127' ' ' LEU . 43.8 t -78.03 97.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -105.04 107.94 19.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 4.6 tmm? -104.53 155.23 19.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' N ' ' SD ' ' A' ' 35' ' ' MET . 2.9 mtp180 -147.79 107.03 3.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.493 HG21 ' CG ' ' A' ' 42' ' ' PHE . 13.8 t -128.65 170.6 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.32 13.98 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.6 mt -86.01 155.98 57.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.0 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.614 HG13 ' CD1' ' A' ' 42' ' ' PHE . 7.6 pt -38.43 -44.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.614 ' CD1' HG13 ' A' ' 41' ' ' ILE . 81.4 m-85 -83.34 129.85 35.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -68.99 -52.95 23.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.81 149.2 23.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -86.13 -32.42 21.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -159.35 143.95 15.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 t -156.66 168.32 27.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.6 p -134.41 129.43 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.41 176.76 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 144.37 41.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 14.6 tpp180 -156.65 128.62 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -85.54 178.54 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -73.74 -25.53 60.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -41.04 61.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -48.84 -49.25 40.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.455 ' CD1' ' CZ ' ' A' ' 126' ' ' PHE . 25.2 m-85 -54.31 -45.91 72.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 1.3 mt-10 -52.78 -36.12 57.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.405 ' CZ3' ' SG ' ' A' ' 122' ' ' CYS . 14.4 t90 -71.3 -45.52 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.033 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.517 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.11 -46.05 90.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 63' ' ' LEU . 19.5 tttm -64.17 -64.56 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -48.62 -30.33 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.49 -35.15 79.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.476 ' CD1' HD12 ' A' ' 111' ' ' ILE . 39.8 mt -71.9 -45.26 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -66.72 -32.01 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.55 -66.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.05 95.51 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.34 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm 68.22 15.11 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 mt -64.01 156.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -86.06 102.61 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.25 137.25 19.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.577 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -74.99 164.58 33.08 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 151.5 39.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.443 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 28.0 mt -94.36 148.53 35.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 81.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.06 146.98 5.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -142.11 -58.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.79 164.19 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tt -169.49 -65.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.51 89.57 3.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -155.85 165.06 37.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 60.63 92.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.4 mp -46.87 168.38 0.13 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.8 20.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.6 129.25 14.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 40.49 88.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.251 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.16 106.15 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.52 134.89 54.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -147.29 119.41 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.5 -133.9 4.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.423 ' O ' ' CD1' ' A' ' 91' ' ' ILE . 2.5 pp -139.27 108.22 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 14.4 p90 -162.64 98.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -142.46 154.28 44.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.33 -56.64 6.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.9 t -42.92 -59.18 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.94 -52.28 25.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.7 mt -49.67 -48.22 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.84 -54.2 45.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -57.05 9.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.05 -52.62 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 -49.86 -68.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -54.9 -45.96 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.59 -69.39 0.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.5 mt -40.83 -55.29 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.272 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.93 -44.59 9.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -55.89 20.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.577 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -44.42 -54.54 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 5.1 tp -66.57 -50.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -39.42 -35.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.91 -59.91 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.476 HD12 ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -42.03 -31.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.28 -56.98 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.97 -36.48 2.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.562 1.163 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.404 ' CE1' ' HB2' ' A' ' 116' ' ' LEU . 6.1 t-80 -52.89 126.56 42.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.612 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.56 2.45 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.404 ' HB2' ' CE1' ' A' ' 114' ' ' HIS . 5.6 mt -64.46 -26.79 68.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.73 -40.34 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 66.8 mt-30 -52.36 -25.17 9.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -89.74 -41.57 11.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.431 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 44.4 mm-40 -39.62 135.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.419 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 2.0 tpt180 -78.26 -22.04 48.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.405 ' SG ' ' CZ3' ' A' ' 58' ' ' TRP . 40.8 t -64.11 -56.89 11.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 tp -52.3 -57.02 11.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 127' ' ' LEU . 22.1 m-70 -43.61 -56.26 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -53.27 60.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 36.8 t80 -37.86 -44.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.412 ' CD2' HG12 ' A' ' 33' ' ' VAL . 1.4 mt -103.58 165.38 11.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 77.03 -54.76 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.05 150.31 27.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -85.18 -59.57 2.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.91 125.55 45.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 126' ' ' PHE . 29.3 mt -81.98 114.24 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 134' ' ' ARG . 1.8 m-20 -72.57 74.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 133' ' ' ASP . 14.0 mtp180 -38.31 150.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 30.2 t30 60.77 57.22 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' A' ' 136' ' ' TYR . 5.1 p90 -94.05 169.18 10.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 58.6 t -112.65 124.66 31.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 64.3 6.01 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -155.74 -170.46 21.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt 65.51 139.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.5 t 59.94 168.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 141.84 82.05 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.81 4.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 27.5 p -106.06 -58.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.2 t -41.61 138.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.034 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.14 91.22 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.57 152.73 25.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.94 71.59 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.092 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -102.6 129.05 49.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.78 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -158.28 139.8 13.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.69 110.51 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.6 m 53.43 102.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -105.08 154.74 19.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 9.6 p90 -156.86 122.69 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.571 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 4.1 tp -120.33 106.1 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -132.04 160.81 34.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mt -134.8 139.62 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.01 141.21 47.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.07 104.87 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.464 ' HA ' ' CZ ' ' A' ' 101' ' ' ARG . 44.1 p90 -151.0 -174.83 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 58.17 71.97 0.95 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.51 28.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.8 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -145.3 118.63 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.5 m -92.51 131.68 37.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -141.2 163.79 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 138.35 148.24 5.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.1 t -139.15 140.12 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.31 -67.04 0.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.48 173.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 39.68 70.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.37 177.17 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.443 ' CZ ' ' CG1' ' A' ' 21' ' ' VAL . 2.7 p90 -139.23 171.76 13.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.0 m -140.98 146.52 37.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 p -141.38 131.14 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.399 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -97.38 156.6 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.55 96.67 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.7 t -78.78 108.21 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -110.53 102.17 10.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.413 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tmm? -99.82 153.49 19.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -151.32 111.23 4.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.475 HG23 ' CG ' ' A' ' 42' ' ' PHE . 11.5 t -130.99 170.1 14.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -131.46 19.06 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.2 mt -93.43 154.72 41.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -38.21 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.602 HG13 ' CD1' ' A' ' 42' ' ' PHE . 9.1 pt -38.08 -44.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.602 ' CD1' HG13 ' A' ' 41' ' ' ILE . 81.0 m-85 -81.86 131.19 35.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -66.01 -55.14 18.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.072 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.6 mt -91.73 143.52 26.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -79.59 -29.8 41.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -165.89 144.26 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.4 170.64 21.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.6 p -125.24 117.67 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.265 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.4 m -136.93 173.04 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 6.4 ptt180 -125.71 123.29 38.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.43 ' CZ ' ' O ' ' A' ' 50' ' ' ARG . 12.7 mmp_? -123.58 152.83 41.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' ASP . 19.0 ptt180 -120.71 150.02 41.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -39.61 -43.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -45.57 69.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ARG . 83.1 m-20 -55.1 -56.44 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.548 ' CD2' HD22 ' A' ' 104' ' ' LEU . 65.0 m-85 -47.1 -41.9 18.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -61.01 -48.15 83.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.605 ' CZ2' ' OE1' ' A' ' 62' ' ' GLU . 6.7 t90 -63.23 -42.61 99.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.54 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.3 -52.32 64.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' LEU . 15.0 tttm -56.9 -69.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -45.59 -34.78 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.605 ' OE1' ' CZ2' ' A' ' 58' ' ' TRP . 0.7 OUTLIER -69.61 -39.28 77.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.487 ' CD1' HD11 ' A' ' 111' ' ' ILE . 3.1 mt -60.11 -43.22 95.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.12 45.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -94.02 -67.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -130.73 71.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.9 p 168.82 134.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.09 46.11 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mt -70.49 152.78 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.363 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.7 t -95.59 100.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 10.6 t -100.64 137.17 19.8 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.07 159.11 41.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.34 40.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 56' ' ' PHE . 12.5 mt -94.35 150.2 37.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 93.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.18 77.43 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.3 101.35 6.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.74 166.85 11.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 mp -100.93 114.94 29.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 155.93 32.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 58.61 163.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.6 100.8 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.06 158.37 72.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.13 18.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 58.85 93.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.29 96.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.81 -119.11 2.44 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 t70 59.64 92.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -85.74 70.38 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.25 98.51 2.42 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.507 1.13 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.484 ' O ' ' CG2' ' A' ' 91' ' ' ILE . 78.1 mt -97.19 53.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 11.7 p90 -160.63 94.31 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 6.5 mt-10 -162.79 145.19 10.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.81 -40.09 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.9 -58.73 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.458 ' CE2' HG23 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -45.17 -57.51 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 13.3 mt -47.91 -57.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.21 -49.09 70.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -57.23 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -53.67 -55.32 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 16' ' ' PHE . 20.2 ttp180 -46.96 -66.61 0.38 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.15 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -41.08 -60.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.24 -63.23 1.87 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.548 HD22 ' CD2' ' A' ' 56' ' ' PHE . 45.8 mt -44.03 -59.43 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.97 -46.6 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -55.18 23.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 5.3 t80 -43.91 -58.8 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 4.4 tp -61.27 -49.53 84.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.416 ' N ' HG21 ' A' ' 108' ' ' ILE . 1.2 m-80 -44.35 -37.85 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 -40.82 13.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.487 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -55.89 -48.45 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.419 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -56.74 -57.84 10.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.78 -33.0 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -58.06 131.89 83.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.76 -36.59 69.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.39 -48.48 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 64.1 mt-30 -47.02 -25.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.52 -43.77 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.05 138.35 15.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 -41.32 17.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 27.3 p -44.92 -41.05 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.31 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.7 tp -60.98 -58.65 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -39.89 -61.41 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 127' ' ' LEU . 1.9 ttm -37.71 -57.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.54 ' CD1' HD22 ' A' ' 59' ' ' LEU . 15.8 t80 -36.9 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' MET . 2.6 mt -112.92 155.59 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 77.76 -54.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.13 115.29 9.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -51.02 39.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -114.3 164.76 13.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.48 HG23 ' CZ3' ' A' ' 58' ' ' TRP . 20.9 mm -91.83 103.74 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 134' ' ' ARG . 28.5 t0 -82.88 76.63 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 7.4 mtm-85 -37.89 128.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' A' ' 136' ' ' TYR . 17.2 t-20 84.84 -48.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 135' ' ' ASN . 47.9 p90 37.87 -159.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.413 ' N ' ' CD2' ' A' ' 136' ' ' TYR . 62.2 t -125.21 114.98 25.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 98.85 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 146.8 111.84 0.7 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.91 137.06 42.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.2 m -130.98 138.66 49.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.25 78.03 0.04 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.415 1.072 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 142.57 27.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 40.9 t -107.89 -58.57 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.7 m 50.48 88.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -47.71 168.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t 59.99 152.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.05 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.73 83.59 0.61 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.07 115.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -176.1 142.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.6 151.07 5.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 m -59.02 168.01 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -93.8 144.22 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 34.5 p90 -154.23 124.4 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.532 HD12 ' CZ ' ' A' ' 42' ' ' PHE . 4.2 tp -123.2 112.96 18.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.18 155.03 43.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -124.48 149.37 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.577 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 5.8 m-20 -114.71 148.19 38.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.431 HG13 ' CA ' ' A' ' 105' ' ' GLU . 10.8 mm -132.6 98.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -152.43 -174.91 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 64.23 62.94 1.38 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -75.02 135.04 18.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -140.65 128.69 22.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.401 ' OG1' ' OG1' ' A' ' 29' ' ' THR . 48.2 m -95.38 155.13 16.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.426 ' CG1' ' CE1' ' A' ' 28' ' ' PHE . 2.3 m -96.87 166.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.18 142.71 48.52 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 24' ' ' GLY . 1.5 p -48.18 164.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' N ' ' CG2' ' A' ' 23' ' ' VAL . . . 166.56 -57.36 0.24 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.09 126.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 27' ' ' ARG . . . 41.81 47.86 3.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' ALA . 5.7 ptp180 -37.93 150.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 30' ' ' THR . 1.6 p90 -139.49 174.87 10.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 30' ' ' THR . 31.7 m -140.56 149.46 42.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.576 HG21 ' CE2' ' A' ' 28' ' ' PHE . 25.9 p -107.65 -174.8 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -148.73 145.29 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 96.83 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.7 t -77.68 91.83 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -97.76 107.98 20.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.465 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.2 tmm? -103.66 154.86 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' SD ' ' A' ' 35' ' ' MET . 2.0 mtt85 -149.48 114.73 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.451 HG23 ' CD1' ' A' ' 42' ' ' PHE . 7.6 t -138.22 171.61 14.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.46 ' ND2' ' CD2' ' A' ' 10' ' ' PHE . 5.3 p30 -131.71 11.92 4.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 mt -81.68 154.96 71.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.94 -38.21 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.617 HG13 ' CD1' ' A' ' 42' ' ' PHE . 7.8 pt -38.33 -44.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CD1' HG13 ' A' ' 41' ' ' ILE . 82.0 m-85 -84.05 136.95 33.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -74.96 -54.31 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.22 144.3 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -80.72 -31.07 36.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 47' ' ' SER . 5.1 tt0 -152.92 142.1 21.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.403 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 5.5 p -156.7 155.84 32.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.42 121.81 25.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.345 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.9 m -125.12 173.71 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -123.5 118.43 27.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -150.81 154.38 37.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HD3' ' CD2' ' A' ' 28' ' ' PHE . 6.1 ptt180 -107.57 174.85 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 21.7 t80 -50.1 -32.87 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.4 t -58.94 -21.26 57.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.539 ' CG ' ' CE1' ' A' ' 126' ' ' PHE . 44.8 t0 -70.99 -66.45 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 104' ' ' LEU . 92.7 m-85 -45.41 -38.08 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 53' ' ' TYR . 3.8 mt-10 -61.17 -45.34 95.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -65.79 -42.28 90.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 107.986 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.555 HD21 ' CD1' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -62.03 -53.04 61.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -55.21 -64.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -48.67 -34.35 11.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HG2' ' CB ' ' A' ' 122' ' ' CYS . 3.8 tp10 -66.21 -40.8 90.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 111' ' ' ILE . 18.7 mt -65.11 -49.02 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -67.53 -32.18 72.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.83 -66.8 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -132.26 83.35 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.35 127.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -86.27 45.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 70' ' ' VAL . 8.4 mt -94.64 153.8 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.419 ' N ' HG21 ' A' ' 69' ' ' ILE . 82.8 t -93.23 101.98 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.8 t -91.94 138.64 24.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 168.42 24.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 143.71 29.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.4 mt -98.22 150.36 36.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 61.9 5.76 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.45 110.99 3.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.24 124.36 42.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -165.27 113.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.3 -63.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -47.92 162.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.71 133.35 43.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 53.74 90.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 110.293 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.85 160.11 30.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 129.39 12.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 t80 63.26 94.32 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 141.75 40.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.34 -74.28 0.42 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.48 126.73 52.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -89.48 -56.33 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.27 79.41 0.21 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.53 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.4 pp -118.45 -40.94 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -38.0 -36.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.94 110.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.36 -44.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.39 -59.56 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.53 ' CE2' ' HB ' ' A' ' 91' ' ' ILE . 41.8 t80 -46.21 -54.97 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.5 mt -55.12 -61.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -43.3 -57.63 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.54 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -51.1 71.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -39.68 -66.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.2 -44.52 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.36 -67.98 1.21 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.434 1.084 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . 49.7 mt -49.47 -62.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.431 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.1 tt0 -39.09 -53.01 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -53.81 53.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.3 t80 -49.5 -59.01 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.462 ' N ' ' CD1' ' A' ' 107' ' ' PHE . 6.1 tp -60.21 -40.07 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.01 -45.19 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.86 -40.24 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.459 HD13 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -57.22 -42.4 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.441 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -61.01 -61.26 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.23 -34.65 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -54.33 131.28 61.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.753 . . . . 0.0 109.643 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mt -59.44 -41.81 90.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -68.08 -50.89 52.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.443 ' HB3' ' CD1' ' A' ' 41' ' ' ILE . 66.7 mt-30 -42.7 -27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.93 -41.88 10.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ALA . 30.0 mm-40 -42.05 148.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.95 -47.55 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.403 ' CB ' ' HG2' ' A' ' 62' ' ' GLU . 1.9 p -42.76 -42.53 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 tp -64.19 -57.27 10.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' LEU . 26.6 m-70 -45.67 -42.88 12.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -40.6 76.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.555 ' CD1' HD21 ' A' ' 59' ' ' LEU . 50.8 t80 -52.26 -24.36 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 124' ' ' HIS . 3.9 mt -122.05 155.76 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 77.02 -54.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.256 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.3 105.97 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -47.13 -60.07 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -105.41 129.06 53.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.8 mt -81.57 115.85 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -75.88 77.44 2.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -40.0 152.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 57.78 45.72 18.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -69.52 177.32 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.28 122.66 40.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.13 2.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -79.46 -119.57 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -64.73 145.82 55.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.7 m 63.87 86.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 149.02 89.95 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.431 1.082 . . . . 0.0 111.068 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 61.12 5.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.02 94.82 5.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.3 t -117.27 -58.41 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.422 ' HB2' HD21 ' A' ' 39' ' ' LEU . 3.5 p-10 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 32.1 p90 -155.38 124.43 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.782 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.2 tp -122.73 110.29 15.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -143.74 154.75 43.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.551 HD13 ' CG1' ' A' ' 108' ' ' ILE . 3.1 mt -124.87 148.31 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.528 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 4.4 m-20 -113.32 146.15 39.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 31' ' ' TYR . 4.3 mm -130.15 101.9 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -152.22 -175.16 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 10.5 t-20 65.17 63.83 1.07 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.4 Cg_endo -74.98 108.58 2.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -107.04 134.25 50.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.8 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.495 ' HB3' HG23 ' A' ' 15' ' ' ILE . 65.9 m-85 -147.32 142.89 27.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.989 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.55 101.6 9.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 t -83.75 95.35 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -106.55 108.16 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.59 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.1 tmm? -98.55 154.81 17.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' SD ' ' A' ' 35' ' ' MET . 10.1 mtp180 -150.54 114.18 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.54 ' HB ' HD12 ' A' ' 11' ' ' LEU . 10.8 t -137.61 176.9 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.79 10.86 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.9 mt -79.79 155.42 75.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -75.0 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.773 HD11 ' CE1' ' A' ' 42' ' ' PHE . 6.8 pt -38.9 -43.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.773 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.5 m-85 -84.47 127.36 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -47.82 71.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 mt -94.35 145.32 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -82.93 -34.72 26.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HG3' ' CG ' ' A' ' 36' ' ' ARG . 2.0 tm-20 -147.82 142.49 26.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 7.9 p -156.8 147.06 21.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.6 p -121.47 128.5 52.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.321 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.732 HG21 ' O ' ' A' ' 127' ' ' LEU . 31.2 m -141.86 160.59 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -102.63 134.36 46.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 10.3 tpp180 -156.05 158.78 38.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -125.14 179.88 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.655 ' HD1' HD21 ' A' ' 104' ' ' LEU . 79.3 t80 -63.89 -54.57 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.99 -34.8 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 5.7 m-20 -65.38 -53.55 41.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CE1' ' CZ ' ' A' ' 126' ' ' PHE . 18.7 m-85 -49.5 -30.57 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -22.16 66.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -84.91 -36.7 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.635 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -72.15 -58.34 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.648 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.4 tttm -43.63 -53.55 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -53.81 -45.42 70.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.66 -22.13 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.888 HD13 HD11 ' A' ' 111' ' ' ILE . 6.4 mt -92.27 -27.56 17.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.356 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.7 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.3 t -102.67 101.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 4.9 t -97.45 137.58 21.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.02 161.43 38.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.08 37.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 12.1 mt -88.84 140.09 29.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -74.98 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.8 m -43.31 -59.19 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -64.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mt -47.26 -47.1 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -56.8 -52.53 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.68 -60.46 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -57.34 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -41.91 -49.64 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -72.7 -53.24 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -41.49 -69.34 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.655 HD21 ' HD1' ' A' ' 53' ' ' TYR . 27.7 mt -43.18 -60.53 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.405 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.8 tt0 -39.95 -48.3 2.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.17 -50.93 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.546 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.2 t80 -51.36 -53.56 35.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.696 HD12 HG21 ' A' ' 111' ' ' ILE . 4.2 tp -65.07 -43.6 95.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.97 -36.92 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.19 -43.25 12.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.888 HD11 HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -54.99 -46.48 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.782 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.06 -40.95 70.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.63 -40.76 80.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.474 ' CE1' ' HG ' ' A' ' 116' ' ' LEU . 5.9 t-80 -49.36 132.59 17.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.778 . . . . 0.0 109.62 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 116' ' ' LEU . 4.9 mt -59.68 -26.55 65.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.75 -41.57 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.733 ' O ' HD12 ' A' ' 41' ' ' ILE . 65.0 mt-30 -53.36 -22.89 8.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -91.86 -35.57 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -49.17 141.64 8.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -44.81 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.1 p -45.23 -44.1 10.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 108.279 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.3 tp -50.29 -60.27 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.556 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 95.3 m-70 -54.17 -51.3 64.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.406 ' SD ' HG23 ' A' ' 132' ' ' ILE . 1.2 ttm -51.6 -34.48 37.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.651 ' CZ ' ' CE1' ' A' ' 56' ' ' PHE . 27.4 t80 -79.64 -10.84 59.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.732 ' O ' HG21 ' A' ' 49' ' ' VAL . 28.2 mt -107.86 -90.82 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.489 ' O ' HG11 ' A' ' 49' ' ' VAL . 74.1 mt-30 -38.9 -63.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.96 138.68 57.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.444 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -87.03 -42.65 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.255 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -112.87 125.1 53.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.406 HG23 ' SD ' ' A' ' 125' ' ' MET . 63.7 mt -77.73 147.46 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 134' ' ' ARG . 2.7 m-20 -117.97 83.0 1.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 133' ' ' ASP . 6.4 mtm180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.645 ' HB3' HD21 ' A' ' 39' ' ' LEU . 20.3 m-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 5.6 p90 -155.89 132.2 10.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.669 HD21 ' HB1' ' A' ' 112' ' ' ALA . 5.5 tp -127.88 107.88 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -134.93 160.35 38.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.72 140.23 46.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.03 142.06 46.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mt -135.89 101.3 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -152.14 -175.12 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 66.98 68.38 0.57 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.4 Cg_endo -75.0 132.42 15.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -138.96 132.69 30.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.7 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.581 HG21 ' HG3' ' A' ' 50' ' ' ARG . 39.1 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.446 ' CD1' ' HG3' ' A' ' 101' ' ' ARG . 39.2 m-85 -148.28 145.52 28.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.04 100.41 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 51' ' ' ARG . 9.9 t -85.89 92.01 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -102.76 100.76 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.42 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tmm? -93.26 153.38 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -148.2 115.3 6.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.619 ' HB ' HD12 ' A' ' 11' ' ' LEU . 10.9 t -135.79 161.4 35.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.428 ' ND2' ' CD2' ' A' ' 10' ' ' PHE . 1.6 p30 -123.16 27.98 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 9' ' ' ASN . 25.2 mt -104.18 153.43 38.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.01 -37.57 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.756 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.1 pt -37.72 -44.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.756 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.4 m-85 -82.83 130.99 35.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -67.95 -50.21 57.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.18 148.65 22.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -39.86 15.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -148.2 142.78 26.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 t -156.43 170.09 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.7 p -135.63 128.21 30.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.308 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.6 m -143.37 171.67 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.581 ' HG3' HG21 ' A' ' 30' ' ' THR . 0.0 OUTLIER -108.98 112.16 24.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.685 ' NH1' HD12 ' A' ' 132' ' ' ILE . 16.6 mmt180 -121.67 128.39 51.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -97.07 159.37 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.501 ' CG ' ' HD3' ' A' ' 100' ' ' ARG . 39.9 t80 -54.09 -19.62 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -81.2 -49.07 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -46.57 -40.94 13.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CG ' HD22 ' A' ' 104' ' ' LEU . 38.9 m-85 -63.04 -44.15 96.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.94 -21.62 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 13.1 t90 -87.29 -37.95 16.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -55.14 22.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -49.89 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -44.14 -51.66 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.5 mm-40 -39.84 -35.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.528 ' CD1' HD11 ' A' ' 111' ' ' ILE . 37.1 mt -82.38 -51.92 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.329 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.462 HG12 ' CB ' ' A' ' 116' ' ' LEU . 6.8 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.2 t -108.02 101.57 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' A' ' 63' ' ' LEU . 13.2 t -84.43 138.4 38.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.95 164.55 33.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.84 30.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.7 mt -86.53 149.58 49.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 96.62 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.5 t -53.73 -57.26 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -48.95 -54.6 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.6 mt -49.04 -68.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -40.99 -51.57 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.35 -59.32 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.501 ' HD3' ' CG ' ' A' ' 53' ' ' TYR . 8.1 ttm180 -64.59 -45.52 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.446 ' HG3' ' CD1' ' A' ' 31' ' ' TYR . 6.7 ttp180 -53.25 -64.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -55.64 -41.38 73.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.76 -57.09 10.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.663 HD22 ' CG ' ' A' ' 56' ' ' PHE . 48.2 mt -53.51 -58.13 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.744 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 108' ' ' ILE . 1.1 tt0 -40.23 -47.73 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -59.8 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 9.1 t80 -43.05 -57.62 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.619 HD12 HG21 ' A' ' 111' ' ' ILE . 3.4 tp -61.52 -44.17 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -39.8 21.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -40.36 16.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.619 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -56.36 -48.51 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.669 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -56.89 -62.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ALA . . . -37.6 -30.79 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 112' ' ' ALA . 4.9 t-80 -57.53 131.45 81.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.3 Cg_endo -75.01 -40.35 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 116' ' ' LEU . 6.2 mt -61.64 -34.83 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.554 ' HB1' HD22 ' A' ' 123' ' ' LEU . . . -75.07 -48.59 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.571 ' O ' HD12 ' A' ' 41' ' ' ILE . 59.1 mt-30 -44.41 -26.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -90.65 -38.78 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' ALA . 38.7 mm-40 -46.77 130.33 11.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -82.64 -21.82 34.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 12.0 p -69.0 -25.9 64.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.554 HD22 ' HB1' ' A' ' 117' ' ' ALA . 9.3 tp -79.2 -59.8 2.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 123' ' ' LEU . 27.9 m-70 -39.57 -54.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.42 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.8 OUTLIER -46.37 -55.4 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.823 ' HA ' HD11 ' A' ' 132' ' ' ILE . 33.2 t80 -40.56 -32.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.42 154.7 20.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 77.34 -54.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.07 111.5 11.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -50.19 -49.81 51.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.239 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -114.55 139.15 49.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.823 HD11 ' HA ' ' A' ' 126' ' ' PHE . 4.8 mt -88.66 118.86 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -78.5 105.5 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 132' ' ' ILE . 21.9 mtt85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.646 ' HB2' HD21 ' A' ' 39' ' ' LEU . 7.4 p30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 4.5 p90 -150.77 122.72 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.74 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.7 tp -122.06 105.63 10.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -134.03 160.98 36.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.476 HD13 ' CG1' ' A' ' 108' ' ' ILE . 2.9 mt -133.3 149.17 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -118.72 140.86 49.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mt -135.69 103.73 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.86 -176.67 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 68.78 65.08 0.55 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.46 125.78 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 2.7 m-85 -134.26 162.38 32.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.27 100.63 11.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.4 t -82.91 93.52 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.2 114.49 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.503 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.7 tmm? -106.41 153.64 21.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -145.52 113.71 6.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.608 ' HB ' HD12 ' A' ' 11' ' ' LEU . 13.6 t -136.34 167.04 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.435 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -130.18 21.51 5.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 9' ' ' ASN . 22.1 mt -96.88 153.23 38.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.02 -37.94 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.727 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.2 pt -37.66 -43.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.727 ' CE1' HD11 ' A' ' 41' ' ' ILE . 77.3 m-85 -80.9 138.18 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -53.08 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.622 HD12 ' HB3' ' A' ' 128' ' ' GLN . 12.9 mt -97.14 151.84 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -87.56 -34.83 18.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -155.67 142.89 19.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 19.4 t -156.67 166.28 33.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.5 p -133.87 123.47 24.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.44 179.26 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.99 136.01 38.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -155.87 166.67 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' CZ ' ' CB ' ' A' ' 52' ' ' ARG . 4.4 mtp-105 -99.68 151.85 20.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' ASP . 8.5 t80 -41.43 -53.97 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' TYR . 4.0 m -37.45 -32.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' TYR . 67.1 t0 -51.93 -59.34 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.842 ' CD2' HD22 ' A' ' 104' ' ' LEU . 51.9 m-85 -47.07 -45.8 22.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.8 -43.8 73.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -69.69 -25.12 63.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 107.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.787 HD11 HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -78.12 -60.15 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.56 ' HA ' HD12 ' A' ' 63' ' ' LEU . 30.8 tttm -43.13 -63.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' GLU . 37.4 t30 -43.07 -56.43 3.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -47.14 -34.3 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.826 HD13 HD11 ' A' ' 111' ' ' ILE . 14.0 mt -77.44 -33.15 54.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' ASN . 15.8 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.457 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.6 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -104.5 100.72 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.3 t -98.18 136.23 21.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.97 165.62 30.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 148.34 34.86 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 18.6 mt -93.38 144.14 27.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -74.97 63.7 5.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.759 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.58 -33.97 13.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.68 -52.61 24.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.4 mt -53.84 -49.28 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -50.88 64.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -39.81 14.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -78.52 -50.47 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -38.88 -65.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.05 -48.43 76.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -38.4 -58.2 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.842 HD22 ' CD2' ' A' ' 56' ' ' PHE . 79.3 mt -59.18 -57.12 14.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.16 -48.07 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.92 -52.79 62.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.555 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -49.48 -56.54 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.774 HD12 HG21 ' A' ' 111' ' ' ILE . 4.5 tp -61.83 -50.6 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.453 ' N ' HG23 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -42.54 -38.48 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.14 -41.72 13.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.826 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -55.16 -50.12 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.74 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -50.48 -54.01 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.7 -37.65 2.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -54.84 132.15 66.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 109.632 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -47.48 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.486 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.4 mt -52.99 -36.66 60.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.3 -45.43 55.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.627 ' O ' HD12 ' A' ' 41' ' ' ILE . 62.9 mt-30 -51.99 -21.7 3.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -92.09 -34.98 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -51.53 142.22 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -83.28 -45.75 13.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 22.8 p -44.28 -41.24 5.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.28 -55.37 29.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 127' ' ' LEU . 33.4 m80 -46.48 -38.7 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.409 ' C ' ' N ' ' A' ' 127' ' ' LEU . 1.3 ttm -67.88 -54.32 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.478 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 36.6 t80 -41.89 -27.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 124' ' ' HIS . 3.2 mt -115.97 155.96 27.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.622 ' HB3' HD12 ' A' ' 44' ' ' LEU . 26.6 mt-30 75.12 -55.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.31 136.35 42.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -71.27 -73.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -95.3 138.8 32.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' A' ' 126' ' ' PHE . 26.7 mt -88.3 139.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -97.74 126.66 43.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.649 ' HB2' HD21 ' A' ' 39' ' ' LEU . 2.6 p-10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.546 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 22.2 p90 -151.01 129.4 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.669 HD12 ' HB ' ' A' ' 37' ' ' THR . 5.4 tp -124.4 106.15 9.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -132.31 164.11 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.1 mt -135.83 157.72 38.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.66 132.45 49.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.68 98.73 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -152.4 -175.2 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t30 67.41 71.71 0.41 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 141.3 26.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -137.68 117.79 13.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -111.49 159.11 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.99 104.63 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.8 t -84.47 95.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -107.09 118.62 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.673 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.6 ttp -114.71 142.45 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -137.48 148.87 46.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.719 HG21 ' CD1' ' A' ' 42' ' ' PHE . 5.4 t -171.43 163.89 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.86 12.06 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 9' ' ' ASN . 28.2 mt -82.71 155.35 68.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.02 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.773 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.1 pt -38.02 -45.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.773 ' CE1' HD11 ' A' ' 41' ' ' ILE . 85.1 m-85 -83.42 127.09 33.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -71.4 -41.53 69.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.96 140.77 31.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -77.02 -30.11 55.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.23 144.45 19.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 p -153.59 147.76 25.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 p -124.44 132.03 53.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 108.307 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.4 m -142.71 175.52 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -124.32 122.65 38.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.727 ' NH2' HD12 ' A' ' 132' ' ' ILE . 23.9 mmm180 -146.18 142.49 28.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.06 179.45 6.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.483 ' HD1' HD11 ' A' ' 104' ' ' LEU . 8.6 t80 -71.04 -29.96 66.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -34.72 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.595 ' OD2' ' CE1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -46.29 -55.76 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.773 ' CD2' HD22 ' A' ' 104' ' ' LEU . 58.5 m-85 -48.15 -55.47 10.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -39.71 -47.73 2.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -58.45 -64.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.667 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -44.32 -45.08 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.572 ' HA ' HD12 ' A' ' 63' ' ' LEU . 13.0 tttm -59.28 -58.24 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -52.6 -37.9 59.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.58 -16.7 40.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.664 HD13 HD11 ' A' ' 111' ' ' ILE . 5.8 mt -98.35 -24.81 15.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.556 HG23 ' CE1' ' A' ' 114' ' ' HIS . 7.5 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.4 t -96.0 100.47 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 38.8 t -86.93 136.66 33.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 157.74 42.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.442 1.759 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.72 31.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -86.54 147.6 44.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 70.14 5.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.59 -60.85 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.34 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.1 mt -48.99 -46.28 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.97 -49.46 76.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -57.36 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -62.82 -34.77 78.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -57.86 -56.51 20.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.263 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -66.44 -50.89 61.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.46 -64.85 1.46 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.773 HD22 ' CD2' ' A' ' 56' ' ' PHE . 55.3 mt -48.53 -56.33 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.88 -44.0 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -54.86 23.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.5 t80 -44.99 -56.22 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.54 HD12 HG21 ' A' ' 111' ' ' ILE . 3.9 tp -63.98 -47.32 91.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.05 -38.2 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.98 -41.98 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.664 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -56.6 -50.84 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.586 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.15 -58.36 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.5 -40.39 0.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.556 ' CE1' HG23 ' A' ' 69' ' ' ILE . 5.6 t-80 -51.01 131.52 30.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.601 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.1 Cg_endo -75.01 -44.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' A' ' 69' ' ' ILE . 8.8 mt -58.57 -33.51 70.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.96 -41.81 61.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.656 ' O ' HD12 ' A' ' 41' ' ' ILE . 70.2 mt-30 -55.73 -19.5 11.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -91.46 -35.91 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -49.36 137.2 14.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -84.56 -19.84 32.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -55.67 19.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 108.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -51.44 -60.96 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -39.63 -33.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.841 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.4 OUTLIER -69.27 -62.81 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.812 ' HA ' HD11 ' A' ' 132' ' ' ILE . 2.5 t80 -36.47 -31.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.673 HD13 ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -110.46 160.23 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 127' ' ' LEU . 77.1 mt-30 73.4 -56.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.32 118.34 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.43 -49.03 73.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -123.06 129.09 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.841 HG23 ' SD ' ' A' ' 125' ' ' MET . 57.8 mt -74.89 126.64 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' ARG . 56.1 m-20 -91.92 82.22 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 133' ' ' ASP . 8.1 mtm180 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.635 ' HB3' HD21 ' A' ' 39' ' ' LEU . 7.1 m-80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 17.0 p90 -151.76 122.37 7.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.814 HD21 ' HB1' ' A' ' 112' ' ' ALA . 3.9 tp -124.75 106.64 10.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -130.97 163.32 27.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.484 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.2 mt -134.01 159.89 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 2.6 m-20 -130.8 146.94 52.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.506 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.2 mt -137.01 101.54 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 32' ' ' GLU . 47.4 p90 -152.28 -172.73 4.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.469 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.3 t-20 64.79 61.31 1.33 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -74.96 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -96.62 134.85 39.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 72.8 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.506 ' HB3' HG23 ' A' ' 15' ' ' ILE . 78.3 m-85 -149.69 135.86 18.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 3.2 mp0 -77.4 104.35 7.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 t -84.21 98.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -108.55 118.96 38.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.913 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.0 ttp -114.21 142.55 46.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.5 ptt180 -132.52 149.93 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.616 ' HB ' HD12 ' A' ' 11' ' ' LEU . 3.4 t -173.82 168.81 4.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -129.98 13.63 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 9' ' ' ASN . 21.9 mt -84.03 156.74 63.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.0 -38.28 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.78 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.776 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.1 pt -38.62 -44.9 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.776 ' CE1' HD11 ' A' ' 41' ' ' ILE . 83.0 m-85 -84.31 133.14 34.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.78 -50.67 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.82 135.12 33.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -72.16 -29.18 63.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -164.71 142.05 6.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -156.83 164.49 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.79 147.71 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.55 HG11 ' O ' ' A' ' 127' ' ' LEU . 26.2 m -148.7 163.87 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -122.9 116.87 24.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -147.83 143.27 27.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.417 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -70.05 156.58 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.283 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.464 ' HD1' HD21 ' A' ' 104' ' ' LEU . 2.7 t80 -47.04 -39.56 13.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -19.58 5.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' CE2' ' A' ' 126' ' ' PHE . 5.5 p-10 -62.81 -37.13 85.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.722 ' CD2' HD22 ' A' ' 104' ' ' LEU . 41.3 m-85 -69.86 -34.57 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 5.4 mt-10 -67.01 -21.63 65.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' HD13 ' A' ' 132' ' ' ILE . 33.3 t90 -87.66 -44.87 10.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.597 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.09 -52.36 64.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -51.63 -68.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.15 -44.13 7.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.43 ' CG ' ' SG ' ' A' ' 122' ' ' CYS . 0.0 OUTLIER -45.13 -34.28 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.515 ' CD1' HD11 ' A' ' 111' ' ' ILE . 27.1 mt -77.2 -55.52 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.527 HG23 ' CE1' ' A' ' 114' ' ' HIS . 16.0 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.9 t -85.97 101.24 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 20.8 t -99.27 138.47 20.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.5 Cg_endo -74.99 164.82 32.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.798 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 145.66 31.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 29.1 mt -85.53 151.26 55.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 61.87 5.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -52.37 19.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLU . 47.4 t80 -49.15 -67.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.8 mt -40.82 -55.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -45.34 -43.56 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -54.76 -65.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -57.38 -51.75 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -66.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.73 -48.35 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -47.09 -51.13 14.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.552 1.158 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.722 HD22 ' CD2' ' A' ' 56' ' ' PHE . 88.9 mt -62.79 -54.47 38.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -50.18 26.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -60.97 -53.79 52.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.0 t80 -45.58 -57.99 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.687 HD12 HG21 ' A' ' 111' ' ' ILE . 3.5 tp -63.24 -48.85 85.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.422 ' N ' HG23 ' A' ' 108' ' ' ILE . 1.1 m-80 -43.1 -35.69 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.71 -43.04 10.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.687 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -54.31 -48.68 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.814 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -54.78 -57.68 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.02 -36.79 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.527 ' CE1' HG23 ' A' ' 69' ' ' ILE . 5.0 t-80 -47.99 133.81 11.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.26 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 116' ' ' LEU . 7.2 mt -63.07 -28.4 70.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.13 -47.21 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.696 ' O ' HD12 ' A' ' 41' ' ' ILE . 70.5 mt-30 -49.05 -23.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.48 -42.57 12.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -54.56 129.33 35.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -81.32 -25.27 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.43 ' SG ' ' CG ' ' A' ' 62' ' ' GLU . 26.3 p -59.66 -24.25 63.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.86 -48.87 42.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.447 ' CD2' ' CD2' ' A' ' 42' ' ' PHE . 53.8 m80 -60.04 -52.91 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.61 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.423 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 1.1 ttm -49.94 -33.23 16.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.597 ' CD1' HD22 ' A' ' 59' ' ' LEU . 32.9 t80 -77.96 -16.14 58.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.913 HD13 ' SD ' ' A' ' 35' ' ' MET . 36.9 mt -103.19 -93.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 127' ' ' LEU . 74.6 mt-30 -36.23 -67.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.46 142.02 53.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.12 -72.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.04 124.16 30.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.556 HD13 ' CZ3' ' A' ' 58' ' ' TRP . 26.6 mt -74.48 115.41 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 134' ' ' ARG . 39.2 t70 -79.35 80.49 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 133' ' ' ASP . 4.6 mtt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.28 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.603 ' HB2' HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.4 p90 -154.79 124.21 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.703 HD21 ' HB1' ' A' ' 112' ' ' ALA . 7.0 tp -127.98 105.17 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -130.99 159.93 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.466 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.1 mt -135.98 132.76 50.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -103.51 141.89 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.3 mt -128.91 101.47 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -151.85 -174.9 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.7 m-20 63.46 64.0 1.46 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.1 Cg_endo -74.98 117.45 4.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.46 142.09 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 51.9 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.657 ' HB3' HG23 ' A' ' 15' ' ' ILE . 81.7 m-85 -150.51 136.77 18.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.96 101.14 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.605 HG21 ' HB2' ' A' ' 51' ' ' ARG . 6.4 t -81.17 104.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -108.34 100.04 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.546 ' SD ' HD13 ' A' ' 127' ' ' LEU . 5.4 ttp -94.95 144.31 25.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.2 ttt180 -143.13 139.62 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.543 HG21 ' CD1' ' A' ' 42' ' ' PHE . 5.8 t -166.68 169.44 13.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -124.38 8.86 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 9' ' ' ASN . 21.8 mt -74.93 152.95 86.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.03 -37.73 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.425 1.75 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.784 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.3 pt -37.98 -44.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.784 ' CE1' HD11 ' A' ' 41' ' ' ILE . 82.5 m-85 -83.26 139.85 32.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -80.06 -41.13 26.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mt -103.29 146.73 28.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -82.83 -34.8 26.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.7 148.29 34.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.4 p -156.43 159.79 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.7 m -136.02 117.23 14.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.2 m -139.13 160.51 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.26 121.95 43.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.605 ' HB2' HG21 ' A' ' 33' ' ' VAL . 2.0 mmt85 -125.38 138.43 54.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -90.12 160.66 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.514 ' CG ' ' HD3' ' A' ' 100' ' ' ARG . 10.0 t80 -60.78 -27.87 68.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -41.64 23.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.442 ' CB ' ' HD3' ' A' ' 51' ' ' ARG . 76.8 m-20 -45.01 -41.12 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CD2' HD22 ' A' ' 104' ' ' LEU . 41.7 m-85 -62.31 -41.22 98.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -55.54 -24.94 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -79.68 -45.17 19.48 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.692 HD11 HD11 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -65.77 -54.94 20.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.409 ' CG ' HG11 ' A' ' 71' ' ' VAL . 2.5 tttm -41.74 -51.43 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' GLU . 51.0 t30 -60.32 -49.18 78.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.91 -24.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.899 HD13 HD11 ' A' ' 111' ' ' ILE . 9.9 mt -90.3 -32.2 16.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 61' ' ' ASN . 3.1 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.528 HG12 HD12 ' A' ' 116' ' ' LEU . 4.8 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.0 t -102.81 114.72 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.3 t -107.4 138.11 19.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.99 162.41 37.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.18 31.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 18.7 mt -78.9 144.87 64.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 97.66 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.47 1.774 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.32 -51.8 24.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.11 -54.68 27.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.9 mt -58.13 -61.08 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -53.57 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.27 -58.42 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' HD3' ' CG ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -63.84 -49.95 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -41.83 -69.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -59.15 -46.82 87.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -44.81 -68.16 0.99 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 111.006 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.558 HD22 ' CD2' ' A' ' 56' ' ' PHE . 43.8 mt -48.33 -46.66 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.41 -55.74 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -45.85 84.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.558 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.0 t80 -54.62 -59.56 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.779 HD12 HG21 ' A' ' 111' ' ' ILE . 4.3 tp -61.99 -41.54 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.92 -42.61 37.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -40.52 19.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.899 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -55.33 -50.59 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.703 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -52.84 -49.65 65.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -48.96 -22.19 2.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 115' ' ' PRO . 7.9 t-80 -69.89 135.06 87.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.4 Cg_endo -74.97 -53.67 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.528 HD12 HG12 ' A' ' 69' ' ' ILE . 8.3 mt -47.45 -40.9 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.31 59.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.51 ' O ' HD12 ' A' ' 41' ' ' ILE . 50.9 mt-30 -52.38 -27.27 15.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -35.45 18.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -56.42 145.39 27.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -85.17 -32.03 22.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 123' ' ' LEU . 22.5 p -54.13 -43.19 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.42 ' N ' ' SG ' ' A' ' 122' ' ' CYS . 7.8 tp -65.4 -61.61 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -41.74 -54.86 3.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.577 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.7 OUTLIER -52.62 -53.02 52.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.057 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.577 ' CG ' HD22 ' A' ' 59' ' ' LEU . 28.8 t80 -44.16 -26.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.546 HD13 ' SD ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -114.04 160.15 19.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 72.25 -56.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -72.53 118.35 15.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -46.39 -59.26 3.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -116.07 171.21 7.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.577 HG23 ' SD ' ' A' ' 125' ' ' MET . 33.8 mt -108.99 146.71 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' ARG . 0.9 OUTLIER -107.13 81.75 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 133' ' ' ASP . 5.8 mtm180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.761 ' HB3' HD21 ' A' ' 39' ' ' LEU . 5.0 m120 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.2 p90 -158.14 125.12 4.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.785 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.5 tp -127.62 109.03 11.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -134.0 161.03 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.2 mt -136.38 151.96 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.13 146.18 47.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.412 ' N ' ' HG3' ' A' ' 105' ' ' GLU . 1.7 mt -138.43 101.48 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -151.98 -173.88 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t30 70.3 65.48 0.45 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 103.06 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -113.65 138.32 50.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.546 HG22 ' HG2' ' A' ' 52' ' ' ARG . 1.1 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -93.04 150.57 20.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.78 115.94 17.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 t -97.38 115.68 37.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.77 100.99 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.722 ' SD ' HD13 ' A' ' 127' ' ' LEU . 5.0 ttp -97.38 143.89 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.0 OUTLIER -139.16 144.27 38.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.638 ' HB ' HD12 ' A' ' 11' ' ' LEU . 3.3 t -173.69 161.9 3.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -123.3 14.22 9.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.761 HD21 ' HB3' ' A' ' 9' ' ' ASN . 22.8 mt -81.34 154.74 71.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.04 -37.63 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.754 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.4 pt -38.17 -44.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.754 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.7 m-85 -83.16 135.23 34.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -74.76 -47.71 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mt -95.01 139.53 31.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -79.91 -27.79 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -161.45 142.29 11.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.23 170.7 21.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.509 ' O ' HG13 ' A' ' 49' ' ' VAL . 18.9 p -128.26 132.41 48.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 48' ' ' CYS . 28.8 m -156.23 168.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -129.27 144.58 51.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.661 ' HE ' HD11 ' A' ' 132' ' ' ILE . 42.3 mmt-85 -139.89 168.07 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.546 ' HG2' HG22 ' A' ' 30' ' ' THR . 14.4 mtm105 -120.37 157.52 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -49.2 -26.65 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.76 -47.39 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.58 -46.65 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.599 ' CG ' HD22 ' A' ' 104' ' ' LEU . 29.6 m-85 -55.25 -40.95 71.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -59.92 -39.49 85.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.451 ' C ' ' CE3' ' A' ' 58' ' ' TRP . 5.0 t90 -70.48 -24.81 62.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 107.955 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -80.03 -57.02 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 63' ' ' LEU . 21.6 tttm -50.73 -62.56 1.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -47.58 -37.81 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.39 -33.83 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.341 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.953 HD13 HD11 ' A' ' 111' ' ' ILE . 1.3 mt -85.88 -13.06 49.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.469 HG12 ' CB ' ' A' ' 116' ' ' LEU . 5.3 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.7 t -103.89 101.57 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.468 HG21 ' HB2' ' A' ' 63' ' ' LEU . 6.0 t -90.99 137.56 26.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -74.98 158.82 42.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.8 39.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 56' ' ' PHE . 17.8 mt -88.29 146.94 39.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.18 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -49.99 -58.18 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -46.46 -51.54 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.26 -60.05 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -51.9 60.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.77 -59.6 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -60.48 -52.56 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -63.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.64 -45.94 81.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.06 -64.1 3.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.599 HD22 ' CG ' ' A' ' 56' ' ' PHE . 79.8 mt -47.31 -56.87 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 1.4 tt0 -44.55 -42.77 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -54.74 18.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.6 t80 -43.24 -58.7 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.722 HD12 HG21 ' A' ' 111' ' ' ILE . 4.1 tp -61.86 -49.14 85.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' CG2' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -43.09 -35.28 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -91.11 -43.89 9.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.953 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -54.14 -43.77 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.785 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -61.18 -44.57 97.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.89 -33.43 50.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.52 132.76 77.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.591 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -45.44 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.523 1.802 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.469 ' CB ' HG12 ' A' ' 69' ' ' ILE . 8.5 mt -57.41 -31.75 66.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.2 -44.91 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 41' ' ' ILE . 68.5 mt-30 -53.11 -25.65 13.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.57 -33.07 17.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -57.7 136.46 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -21.45 29.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 17.5 p -65.82 -40.81 92.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.95 -61.42 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 125' ' ' MET . 28.8 m80 -39.57 -58.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 124' ' ' HIS . 1.0 OUTLIER -37.45 -58.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.609 ' HA ' HD11 ' A' ' 132' ' ' ILE . 26.4 t80 -38.13 -34.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.722 HD13 ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -112.45 164.46 13.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 71.41 -56.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.352 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 126.6 28.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.34 -51.98 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -134.66 -175.56 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.661 HD11 ' HE ' ' A' ' 51' ' ' ARG . 16.3 mm -95.08 110.4 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -84.69 113.01 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 41.5 p90 -150.71 129.62 12.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.558 1.161 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.666 HD12 ' HB ' ' A' ' 37' ' ' THR . 2.8 tp -127.78 108.68 10.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.7 164.17 27.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -137.27 158.24 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -133.9 142.46 47.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mt -139.29 99.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -152.39 -174.24 4.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 7.3 t30 69.88 64.16 0.5 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.3 Cg_endo -74.98 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.66 131.55 55.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.408 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.455 HG21 ' CD ' ' A' ' 50' ' ' ARG . 1.4 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -150.56 142.13 23.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.96 94.52 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.416 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 45.2 t -77.65 91.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -109.96 128.85 55.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.703 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.1 tmm? -117.98 153.44 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 7.4 ptm180 -139.65 120.03 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.666 ' HB ' HD12 ' A' ' 11' ' ' LEU . 7.0 t -148.5 165.68 30.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -129.38 12.22 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.0 mt -82.93 154.69 67.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -37.3 2.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.857 HD12 ' O ' ' A' ' 118' ' ' GLN . 7.8 pt -38.91 -44.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' A' ' 41' ' ' ILE . 78.4 m-85 -82.41 129.09 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -47.87 55.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mt -92.25 149.61 21.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -90.02 -39.85 12.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.09 134.81 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -156.76 168.32 27.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.9 p -136.21 153.37 51.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 108.289 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.646 HG11 ' O ' ' A' ' 127' ' ' LEU . 31.9 m -152.3 164.77 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.455 ' CD ' HG21 ' A' ' 30' ' ' THR . 15.2 ttt180 -115.35 115.96 27.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.401 ' NE ' ' OD2' ' A' ' 55' ' ' ASP . 21.1 mmm180 -147.44 161.83 40.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -102.23 179.16 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.96 -38.89 92.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -36.61 47.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.402 ' CG ' ' CE1' ' A' ' 126' ' ' PHE . 42.1 t0 -49.45 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.856 ' CG ' HD22 ' A' ' 104' ' ' LEU . 89.1 m-85 -37.98 -50.65 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.65 -49.13 38.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 75.3 t90 -58.79 -55.77 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -51.94 -52.49 49.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.615 ' HD3' HD12 ' A' ' 74' ' ' LEU . 8.4 tttm -49.45 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 64' ' ' GLU . 6.0 t-20 -45.95 -47.83 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -40.96 -30.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.503 ' CD1' HD11 ' A' ' 111' ' ' ILE . 33.0 mt -81.2 -48.03 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.2 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 114' ' ' HIS . 9.6 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -94.33 100.97 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 20.5 t -90.64 137.46 27.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.04 162.57 36.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.96 29.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.615 HD12 ' HD3' ' A' ' 60' ' ' LYS . 11.4 mt -93.55 148.8 36.14 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.4 Cg_endo -75.0 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -52.2 65.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -49.75 -53.58 24.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.7 mt -54.94 -63.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -42.9 -54.04 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.69 -58.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -65.72 -48.3 72.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -40.86 -66.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.45 -47.63 81.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.16 -57.28 2.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.856 HD22 ' CG ' ' A' ' 56' ' ' PHE . 20.9 mt -56.78 -60.68 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.8 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.08 -47.77 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.51 -49.82 76.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.565 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.0 t80 -56.62 -57.54 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.521 HD12 HG21 ' A' ' 111' ' ' ILE . 9.4 tp -59.29 -37.21 67.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' A' ' 112' ' ' ALA . 0.6 OUTLIER -52.6 -59.53 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -62.26 -50.95 69.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.521 HG21 HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -51.0 -37.01 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -60.72 -60.51 3.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.28 -35.62 1.88 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.574 ' CE1' HG23 ' A' ' 69' ' ' ILE . 5.5 t-80 -46.5 131.65 8.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.39 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.1 mt -62.09 -33.74 75.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' ' 114' ' ' HIS . . . -76.76 -45.52 28.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.857 ' O ' HD12 ' A' ' 41' ' ' ILE . 39.0 mt-30 -46.68 -24.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.21 -42.19 11.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -46.87 136.05 8.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.79 -27.06 22.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 30.1 p -60.09 -20.7 59.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.334 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.99 -54.73 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.687 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 94.8 m-70 -56.79 -52.66 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.405 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.4 OUTLIER -47.06 -42.42 18.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.534 ' CD2' HD22 ' A' ' 59' ' ' LEU . 18.0 t80 -69.21 -21.92 63.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.646 ' O ' HG11 ' A' ' 49' ' ' VAL . 58.9 mt -95.54 -92.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 127' ' ' LEU . 80.5 mt-30 -37.43 -68.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.24 146.16 44.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -87.51 -67.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.07 124.79 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 126' ' ' PHE . 10.2 mt -84.11 159.27 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.43 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 21.2 t0 -124.7 128.86 49.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.441 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.77 ' HB2' HD21 ' A' ' 39' ' ' LEU . 6.9 p30 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 16.7 p90 -145.87 128.38 16.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.529 HD21 ' HB1' ' A' ' 112' ' ' ALA . 9.5 tp -126.89 105.07 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -131.18 163.5 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.484 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.75 139.7 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -109.75 140.47 43.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.5 HD13 HG22 ' A' ' 33' ' ' VAL . 1.4 mm -127.77 99.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 17' ' ' ASN . 47.5 p90 -152.73 -174.71 5.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 7.8 t-20 69.17 64.63 0.54 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.05 143.57 29.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -147.96 119.2 7.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.451 ' CD2' ' HG3' ' A' ' 101' ' ' ARG . 60.8 m-85 -115.76 155.74 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.49 106.32 17.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.5 HG22 HD13 ' A' ' 15' ' ' ILE . 35.0 t -84.09 92.61 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -98.71 101.87 13.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.6 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.9 ttp -96.45 143.33 27.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.441 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.4 OUTLIER -139.33 146.39 40.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.591 HG21 ' CD1' ' A' ' 42' ' ' PHE . 4.9 t -173.59 165.53 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -123.61 15.33 9.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.77 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.1 mt -82.16 153.9 69.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -37.75 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.761 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.76 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.4 pt -38.2 -45.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.76 ' CE1' HD11 ' A' ' 41' ' ' ILE . 83.1 m-85 -82.39 136.37 34.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -76.25 -45.97 30.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -97.65 149.05 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -82.97 -36.02 25.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -151.49 143.42 23.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 p -154.87 142.95 20.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.0 m -110.41 119.58 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.3 m -133.02 -177.2 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -131.62 119.02 20.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.525 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -131.5 126.56 35.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 179.69 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -74.5 -32.5 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -67.53 -37.2 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.442 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 37.4 m-20 -54.13 -52.33 61.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.697 ' CD2' HD22 ' A' ' 104' ' ' LEU . 27.0 m-85 -50.94 -45.49 60.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.93 -30.2 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.477 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 24.0 t90 -82.09 -42.85 18.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.523 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -59.95 -55.3 35.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -46.34 -64.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 64' ' ' GLU . 8.0 t30 -47.46 -48.52 26.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -43.71 -45.49 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.533 ' CD1' HD11 ' A' ' 111' ' ' ILE . 51.4 mt -64.44 -38.2 90.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' ASN . 28.7 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.0 t -81.57 103.19 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 16.7 t -108.8 138.1 20.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.525 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.08 161.79 37.98 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.13 33.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 56' ' ' PHE . 17.2 mt -87.31 148.46 44.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 114.09 3.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.019 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -25.29 65.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.48 -57.89 3.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.91 -42.11 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -56.17 24.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -59.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -52.05 67.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.451 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 18.6 ttp180 -40.5 -68.49 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -52.59 -53.57 44.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.78 -69.78 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.697 HD22 ' CD2' ' A' ' 56' ' ' PHE . 83.8 mt -47.47 -59.57 3.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.475 ' HG3' ' CG1' ' A' ' 15' ' ' ILE . 6.5 tt0 -42.03 -51.1 4.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -53.75 54.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.9 t80 -51.47 -59.45 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.645 HD12 HG21 ' A' ' 111' ' ' ILE . 5.4 tp -58.84 -40.18 79.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.81 -48.1 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -38.45 55.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.645 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -57.56 -51.84 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.529 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -53.47 -59.54 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.97 -37.28 0.97 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 115' ' ' PRO . 5.5 t-80 -52.19 132.3 41.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.747 . . . . 0.0 109.576 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.3 Cg_endo -75.03 -48.9 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 116' ' ' LEU . 7.0 mt -52.38 -37.84 57.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.422 ' HB1' HD22 ' A' ' 123' ' ' LEU . . . -71.32 -49.3 43.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.691 ' O ' HD12 ' A' ' 41' ' ' ILE . 59.9 mt-30 -47.97 -24.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.21 -34.94 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 56.7 mm-40 -54.07 140.29 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -85.09 -40.16 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 7.6 p -47.94 -46.12 31.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 108.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.422 HD22 ' HB1' ' A' ' 117' ' ' ALA . 6.5 tp -59.87 -57.2 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 127' ' ' LEU . 6.1 m80 -41.87 -41.11 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.502 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.7 OUTLIER -61.33 -58.43 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.525 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 11.2 t80 -37.19 -32.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.6 HD13 ' SD ' ' A' ' 35' ' ' MET . 4.8 mt -111.87 163.12 14.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 70.79 -57.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.84 151.01 47.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.407 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 11.8 tp10 -86.55 -69.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -103.89 129.05 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.816 HG22 ' H ' ' A' ' 134' ' ' ARG . 59.2 mt -69.21 131.52 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 134' ' ' ARG . 12.2 m-20 -91.74 29.22 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.816 ' H ' HG22 ' A' ' 132' ' ' ILE . 13.9 mtt180 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.454 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.0 m-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 17.5 p90 -156.19 124.83 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.617 HD21 ' HB1' ' A' ' 112' ' ' ALA . 7.0 tp -124.1 106.02 10.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -132.11 163.31 28.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.472 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.48 154.67 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -125.57 140.29 52.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mt -130.75 102.21 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -151.65 -174.97 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t30 62.66 69.08 0.93 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.373 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 131.77 14.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -132.18 124.22 28.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.4 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.51 HG22 ' HG2' ' A' ' 52' ' ' ARG . 4.2 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -150.88 163.89 37.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.32 94.17 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG21 ' HB2' ' A' ' 51' ' ' ARG . 45.0 t -80.59 94.68 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -102.19 100.74 10.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.352 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.483 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.1 ttp -93.6 143.82 25.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.457 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.4 ttt180 -138.25 141.5 39.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.606 ' HB ' HD12 ' A' ' 11' ' ' LEU . 5.1 t -168.99 171.68 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -131.35 12.69 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 9' ' ' ASN . 25.4 mt -79.04 153.79 77.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -74.98 -37.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.768 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.4 pt -37.94 -44.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 41' ' ' ILE . 80.7 m-85 -83.04 139.02 33.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -78.0 -51.66 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.7 mt -93.81 137.09 33.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -67.16 -45.17 77.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.23 143.44 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.93 169.15 23.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.1 p -120.81 128.6 53.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.1 m -136.57 -176.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -134.78 110.19 9.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HB2' HG21 ' A' ' 33' ' ' VAL . 14.8 mmp_? -113.09 147.95 36.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.51 ' HG2' HG22 ' A' ' 30' ' ' THR . 0.9 OUTLIER -114.7 152.31 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -42.56 -35.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 m -68.8 -50.15 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -44.18 -55.43 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.636 ' CD2' HD22 ' A' ' 104' ' ' LEU . 57.7 m-85 -47.2 -47.28 24.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.92 -46.69 71.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.517 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 38.1 t90 -63.1 -32.76 74.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.77 HD11 HD11 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -70.85 -56.43 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.525 ' HA ' HD12 ' A' ' 63' ' ' LEU . 10.6 tttm -44.62 -65.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' GLU . 1.3 t-20 -50.74 -53.05 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.517 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 15.5 mm-40 -43.85 -31.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.816 HD13 HD11 ' A' ' 111' ' ' ILE . 6.6 mt -80.92 -43.15 20.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' ASN . 1.9 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.411 HG23 ' CE1' ' A' ' 114' ' ' HIS . 5.6 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.406 ' HB ' ' NE2' ' A' ' 114' ' ' HIS . 70.4 t -81.93 101.2 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.447 ' CG1' ' HD2' ' A' ' 72' ' ' PRO . 39.5 t -111.71 140.4 23.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.0 166.15 29.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.792 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.25 31.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.48 149.25 42.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 106.33 2.25 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -54.45 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -57.5 -47.98 80.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.1 mt -57.91 -60.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -46.44 -53.89 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -63.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -54.13 -55.33 28.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -42.24 -65.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -54.44 -50.88 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -41.95 -69.57 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.636 HD22 ' CD2' ' A' ' 56' ' ' PHE . 34.0 mt -48.01 -51.65 23.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -49.07 -55.19 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -47.93 83.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 12.9 t80 -52.6 -59.54 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.722 HD12 HG21 ' A' ' 111' ' ' ILE . 4.1 tp -61.2 -40.16 84.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -42.07 61.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -37.95 21.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.816 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -58.15 -51.83 66.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.617 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -48.3 -56.8 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.7 -32.06 0.82 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.411 ' CE1' HG23 ' A' ' 69' ' ' ILE . 8.3 t-80 -56.96 132.12 79.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 109.598 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.2 Cg_endo -74.99 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.9 mt -51.21 -40.61 59.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.9 69.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.231 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.692 ' O ' HD12 ' A' ' 41' ' ' ILE . 53.6 mt-30 -52.37 -21.22 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -92.97 -42.99 9.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -46.01 146.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -34.22 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 11.5 p -53.04 -35.59 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.7 tp -73.82 -56.58 4.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 127' ' ' LEU . 4.9 m80 -40.74 -48.08 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -52.5 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.511 ' HA ' HD11 ' A' ' 132' ' ' ILE . 13.4 t80 -38.16 -34.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.483 HD13 ' SD ' ' A' ' 35' ' ' MET . 3.4 mt -113.88 158.46 21.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 76.51 -55.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.24 150.15 38.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -79.88 -70.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.231 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.06 133.28 45.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 126' ' ' PHE . 49.0 mt -77.65 163.95 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.487 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 1.1 m-20 -127.97 114.34 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.452 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.585 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.3 m120 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 21.9 p90 -147.17 124.83 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.804 HD21 ' HB1' ' A' ' 112' ' ' ALA . 3.8 tp -121.61 108.81 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -132.63 162.08 32.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.478 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.59 149.88 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.7 131.2 53.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.7 99.55 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -152.52 -174.96 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 69.33 66.67 0.47 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 131.97 14.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -135.65 116.48 14.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.8 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.377 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.611 HG21 ' HD2' ' A' ' 50' ' ' ARG . 60.3 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -149.52 153.77 37.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.12 99.82 7.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.47 HG21 ' HB2' ' A' ' 51' ' ' ARG . 45.2 t -80.95 98.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -108.55 99.9 9.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.572 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.1 ttp -93.15 143.73 25.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -134.17 140.06 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.556 ' HB ' HD12 ' A' ' 11' ' ' LEU . 3.6 t -169.64 163.04 10.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -127.33 17.13 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 9' ' ' ASN . 22.8 mt -83.8 155.76 64.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.5 Cg_endo -74.96 -38.56 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.801 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.9 pt -38.59 -44.77 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.801 ' CE1' HD11 ' A' ' 41' ' ' ILE . 84.4 m-85 -84.87 137.77 32.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -82.68 -45.44 14.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.763 HD12 ' HB3' ' A' ' 128' ' ' GLN . 15.2 mt -92.37 143.52 26.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -81.99 -42.39 19.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 1.6 tm-20 -151.32 141.75 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.88 169.62 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.471 ' O ' HG13 ' A' ' 49' ' ' VAL . 29.6 p -136.54 146.46 46.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 108.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 48' ' ' CYS . 35.6 m -156.31 -179.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.611 ' HD2' HG21 ' A' ' 30' ' ' THR . 3.2 ttt180 -109.79 116.88 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB2' HG21 ' A' ' 33' ' ' VAL . 14.4 mmp_? -129.81 141.89 50.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' NH2' ' OD2' ' A' ' 55' ' ' ASP . 7.9 mtm180 -110.9 156.18 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.422 ' HD1' HD21 ' A' ' 104' ' ' LEU . 30.1 t80 -51.0 -27.15 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 t -74.65 -46.76 35.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' OD2' ' NH2' ' A' ' 52' ' ' ARG . 89.6 m-20 -48.29 -48.25 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -53.71 -49.33 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -49.12 -49.73 40.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.595 ' CZ3' ' SG ' ' A' ' 122' ' ' CYS . 30.9 t90 -55.23 -53.45 55.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.046 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.563 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -56.77 -53.51 56.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -46.06 -58.08 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' GLU . 17.7 t30 -50.76 -53.44 31.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -45.88 -31.57 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.7 HD13 HD11 ' A' ' 111' ' ' ILE . 46.1 mt -81.57 -36.19 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.4 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -100.51 101.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.516 HG13 ' HD2' ' A' ' 72' ' ' PRO . 59.4 t -96.14 140.66 22.35 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.516 ' HD2' HG13 ' A' ' 71' ' ' VAL . 18.3 Cg_endo -75.05 158.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.61 30.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 14.9 mt -86.77 142.35 34.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -75.02 86.79 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -47.58 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -51.86 68.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 53.3 mt -49.56 -48.98 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.09 -60.4 3.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -42.0 -56.23 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -63.4 -55.2 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.268 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.0 ttp-105 -48.13 -67.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.12 -46.96 86.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . -45.14 -53.41 7.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.422 HD21 ' HD1' ' A' ' 53' ' ' TYR . 20.6 mt -58.84 -54.24 49.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.407 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.7 OUTLIER -45.02 -43.25 9.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -53.58 46.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.489 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -50.24 -55.08 16.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.747 HD12 HG21 ' A' ' 111' ' ' ILE . 5.0 tp -62.7 -43.07 98.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -47.78 -40.33 20.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -85.74 -42.53 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -54.1 -46.59 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.804 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.12 -62.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.76 -34.0 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . 6.2 t-80 -55.71 126.84 65.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.618 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -43.53 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.4 mt -58.59 -27.94 65.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 114' ' ' HIS . . . -83.47 -44.45 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.577 ' O ' HD12 ' A' ' 41' ' ' ILE . 48.9 mt-30 -51.3 -23.05 3.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -89.41 -35.2 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.468 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 65.2 mm-40 -53.57 135.77 39.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -74.56 -40.38 61.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.595 ' SG ' ' CZ3' ' A' ' 58' ' ' TRP . 53.5 t -45.25 -52.73 9.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.13 -55.19 38.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' LEU . 12.7 m-70 -45.45 -49.05 13.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.625 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' LEU . 1.4 ttm -63.0 -57.61 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.877 ' HA ' HD11 ' A' ' 132' ' ' ILE . 26.9 t80 -37.84 -30.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.572 HD13 ' SD ' ' A' ' 35' ' ' MET . 2.7 mt -112.26 153.99 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.763 ' HB3' HD12 ' A' ' 44' ' ' LEU . 54.6 mt-30 75.22 -55.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.19 144.77 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -83.62 -68.97 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.352 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.43 133.21 35.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.877 HD11 ' HA ' ' A' ' 126' ' ' PHE . 30.1 mt -98.4 150.73 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -113.07 112.94 24.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 5.7 p90 -150.3 124.21 9.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.617 HD12 ' HB ' ' A' ' 37' ' ' THR . 7.0 tp -121.26 102.69 8.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -135.08 160.08 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.652 HD13 ' CG1' ' A' ' 108' ' ' ILE . 2.8 mp -126.08 153.4 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -118.2 140.08 50.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mm -128.3 99.22 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -153.1 -174.35 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 68.85 64.22 0.57 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.4 Cg_endo -74.98 92.36 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -96.02 143.38 27.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.41 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.526 HG21 ' HG3' ' A' ' 50' ' ' ARG . 1.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.541 ' CE1' ' HG3' ' A' ' 101' ' ' ARG . 92.8 m-85 -99.49 147.04 25.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.39 97.3 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.68 91.39 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -106.48 122.34 46.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.588 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.7 tmm? -107.65 153.0 23.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -142.58 110.37 5.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.617 ' HB ' HD12 ' A' ' 11' ' ' LEU . 13.0 t -133.98 172.73 12.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -136.81 16.16 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.09 157.02 46.11 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -74.98 -37.97 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.769 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.7 pt -38.44 -44.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.769 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.8 m-85 -84.33 127.43 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -73.65 -44.47 56.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -92.0 139.45 30.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -75.94 -33.18 59.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -168.0 143.04 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.2 171.04 19.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.4 m -131.46 144.73 51.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.693 HG11 ' O ' ' A' ' 127' ' ' LEU . 15.6 m -146.09 164.06 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.526 ' HG3' HG21 ' A' ' 30' ' ' THR . 6.1 ttp180 -106.18 110.74 23.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.625 ' NH2' HD12 ' A' ' 132' ' ' ILE . 27.4 mmm180 -148.81 135.62 19.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.452 ' HG3' HG22 ' A' ' 30' ' ' THR . 5.1 mtm180 -89.14 -179.55 5.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 1.5 t80 -62.02 -36.93 83.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -41.93 78.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.6 ' OD2' ' CE1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -48.9 -59.56 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.485 ' CG ' HD22 ' A' ' 104' ' ' LEU . 62.6 m-85 -42.19 -46.79 4.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -42.7 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.475 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 25.8 t90 -65.61 -44.35 86.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 108.004 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.777 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -58.63 -51.58 69.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HG3' HG11 ' A' ' 71' ' ' VAL . 2.4 tttm -49.92 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' GLU . 8.3 t30 -46.51 -51.41 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.475 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 5.6 mm-40 -41.17 -29.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 111' ' ' ILE . 29.1 mt -82.78 -46.48 13.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.5 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.351 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.563 HG23 ' CE1' ' A' ' 114' ' ' HIS . 7.9 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.2 t -90.33 100.52 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.445 HG11 ' HG3' ' A' ' 60' ' ' LYS . 7.1 t -93.27 134.86 26.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.94 163.3 35.71 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.18 32.26 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.464 1.77 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 56' ' ' PHE . 16.1 mt -93.43 151.64 40.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.83 2.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.76 -59.36 4.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -48.69 -43.88 37.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.2 mt -60.72 -59.76 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -51.34 54.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -62.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -60.51 -38.52 84.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.357 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 4.1 ttp180 -56.55 -70.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -55.28 -46.38 76.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.62 -60.01 5.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.485 HD22 ' CG ' ' A' ' 56' ' ' PHE . 86.9 mt -54.02 -61.97 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.99 -49.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -56.83 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.561 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.3 t80 -47.37 -57.57 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.652 ' CG1' HD13 ' A' ' 13' ' ' ILE . 3.5 tp -61.26 -40.17 85.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -44.83 64.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -39.33 33.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.575 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -57.29 -51.5 68.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -53.16 -54.47 35.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -40.89 -38.68 1.71 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.424 1.078 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.563 ' CE1' HG23 ' A' ' 69' ' ' ILE . 6.5 t-80 -50.09 134.39 22.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 109.56 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 69' ' ' ILE . 7.1 mt -57.8 -37.75 74.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.16 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.74 ' O ' HD12 ' A' ' 41' ' ' ILE . 69.0 mt-30 -47.41 -24.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -91.71 -38.63 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -50.26 139.74 14.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -86.31 -44.57 11.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 23.2 p -43.24 -38.44 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.242 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.27 -60.75 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.689 ' CD2' ' CE2' ' A' ' 42' ' ' PHE . 58.9 m80 -51.7 -54.09 32.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.44 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.8 OUTLIER -45.45 -57.32 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.777 ' CD2' HD22 ' A' ' 59' ' ' LEU . 2.2 t80 -51.39 -37.02 46.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.693 ' O ' HG11 ' A' ' 49' ' ' VAL . 51.5 mt -83.6 -89.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.495 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 84.8 mt-30 -36.84 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.04 144.34 49.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.91 -74.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.86 124.34 24.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.625 HD12 ' NH2' ' A' ' 51' ' ' ARG . 9.9 mt -84.55 110.26 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -70.94 115.82 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' A' ' 39' ' ' LEU . 1.2 p-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 8.6 p90 -156.69 124.02 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.682 HD21 ' HB1' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -124.43 115.54 21.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -137.57 157.9 45.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.491 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.5 mt -136.7 162.25 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.449 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 25.8 m-20 -142.65 146.83 34.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.525 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.0 mt -130.3 102.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -152.02 -173.81 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.451 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.8 m-20 67.52 62.62 0.75 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.99 104.84 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.65 116.79 30.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.525 ' HB3' HG23 ' A' ' 15' ' ' ILE . 67.0 m-85 -100.49 131.42 46.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -77.26 117.36 18.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.32 101.41 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 13' ' ' ILE . 23.3 ttm180 -100.14 107.46 19.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.64 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.6 ttp -108.05 143.5 36.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.445 ' N ' ' HG2' ' A' ' 35' ' ' MET . 11.8 mtp180 -137.53 139.14 40.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.55 HG21 ' CD1' ' A' ' 42' ' ' PHE . 3.4 t -167.16 169.7 12.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -129.36 9.78 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' A' ' 9' ' ' ASN . 18.9 mt -79.99 153.27 74.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.02 -37.84 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.755 HD12 ' O ' ' A' ' 118' ' ' GLN . 8.0 pt -38.3 -43.28 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 41' ' ' ILE . 80.0 m-85 -81.48 139.15 35.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -80.88 -52.35 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.44 HD12 ' HB3' ' A' ' 128' ' ' GLN . 11.6 mt -91.45 122.31 33.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -61.12 -37.3 82.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -159.92 144.6 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.96 168.94 25.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -134.05 97.83 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 127' ' ' LEU . 15.9 m -116.11 147.68 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -105.91 140.41 38.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -147.4 166.76 26.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -100.32 174.19 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.404 ' HD1' HD21 ' A' ' 104' ' ' LEU . 9.3 t80 -68.53 -26.5 65.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -41.47 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 126' ' ' PHE . 20.8 t0 -42.36 -45.94 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CD1' HD22 ' A' ' 104' ' ' LEU . 46.0 m-85 -59.31 -43.94 92.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.51 -35.63 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.472 ' CE2' ' OE1' ' A' ' 62' ' ' GLU . 35.5 t90 -73.58 -50.01 23.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -55.66 -50.08 71.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -50.83 -60.76 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLU . 47.9 t-20 -44.82 -58.57 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.472 ' OE1' ' CE2' ' A' ' 58' ' ' TRP . 1.1 mp0 -39.52 -33.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 111' ' ' ILE . 79.7 mt -85.36 -46.66 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' ASN . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.245 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.8 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.2 t -101.42 100.73 10.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.7 t -92.29 137.22 24.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 165.8 30.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.86 41.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 23.1 mt -96.28 146.96 32.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -75.07 104.24 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -47.52 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -56.13 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mt -55.86 -43.1 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.373 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -60.64 3.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -50.14 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -71.59 -59.53 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.467 ' HG3' HG22 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -41.09 -61.28 1.02 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -59.79 -42.8 94.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.65 -50.09 50.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 56' ' ' PHE . 41.6 mt -61.25 -44.98 96.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 108' ' ' ILE . 0.4 OUTLIER -54.08 -51.65 63.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -51.41 68.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 7.2 t80 -49.78 -59.21 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.757 HD12 HG21 ' A' ' 111' ' ' ILE . 3.2 tp -62.49 -44.65 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.92 -36.67 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.95 -43.14 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.757 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -53.9 -45.92 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.682 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.91 -65.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.42 -36.27 0.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -46.16 131.89 7.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.591 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -39.85 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.486 1.782 . . . . 0.0 111.058 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.465 ' CB ' HG12 ' A' ' 69' ' ' ILE . 7.0 mt -62.74 -32.49 73.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.36 24.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.755 ' O ' HD12 ' A' ' 41' ' ' ILE . 39.6 mt-30 -54.36 -21.85 10.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -90.75 -33.16 15.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.61 135.45 57.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -28.46 23.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -45.9 90.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.469 ' HG ' HD12 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -54.84 -63.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.414 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 92.3 m-70 -39.18 -58.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.572 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.483 ' HG2' ' CG ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -46.34 -54.26 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.656 ' CD1' HD22 ' A' ' 59' ' ' LEU . 3.0 t80 -60.13 -31.8 70.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.469 HD12 ' HG ' ' A' ' 123' ' ' LEU . 47.6 mt -75.96 -51.79 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.48 ' O ' ' O ' ' A' ' 129' ' ' GLU . 60.8 mt-30 -116.6 -128.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.332 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.483 ' CG ' ' HG2' ' A' ' 125' ' ' MET . 0.0 OUTLIER 58.29 134.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -42.39 -52.64 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -154.69 135.24 13.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.643 HD11 ' HA ' ' A' ' 126' ' ' PHE . 15.3 mt -54.14 164.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.481 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 33.2 t0 -142.5 122.34 13.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HB3' HD21 ' A' ' 39' ' ' LEU . 57.7 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.8 p90 -146.79 124.95 12.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.61 HD12 ' HB ' ' A' ' 37' ' ' THR . 6.6 tp -128.79 107.58 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -140.8 164.07 31.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.4 155.04 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -124.12 143.13 50.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.8 mt -135.7 103.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 17' ' ' ASN . 43.8 p90 -151.99 -173.8 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.515 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 2.8 t-20 65.88 59.67 1.12 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.1 Cg_endo -75.07 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.542 1.812 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.58 140.12 39.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.59 ' HB3' HG23 ' A' ' 15' ' ' ILE . 82.2 m-85 -150.78 139.9 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.02 96.28 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.3 t -80.89 91.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.84 128.45 54.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.589 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 4.9 tmm? -115.05 154.8 28.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -143.17 117.05 9.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.61 ' HB ' HD12 ' A' ' 11' ' ' LEU . 6.7 t -147.95 169.5 19.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -131.7 8.67 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 9' ' ' ASN . 20.7 mt -77.92 154.27 80.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.99 -37.99 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.773 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.5 pt -39.21 -44.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.773 ' CE1' HD11 ' A' ' 41' ' ' ILE . 80.6 m-85 -83.11 133.69 35.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -71.68 -66.5 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -77.48 150.93 34.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -90.49 -35.54 15.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CG ' ' HG3' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -147.38 130.78 16.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.79 164.22 38.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.613 ' O ' HG13 ' A' ' 49' ' ' VAL . 20.1 p -135.32 156.54 48.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 108.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.639 HG11 ' O ' ' A' ' 127' ' ' LEU . 18.3 m -158.29 154.32 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.53 131.76 55.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.82 ' NH1' HD12 ' A' ' 132' ' ' ILE . 0.0 OUTLIER -160.28 166.02 30.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 20.0 mtm105 -87.44 179.93 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.545 ' HD2' HD11 ' A' ' 104' ' ' LEU . 9.7 t80 -66.13 -47.45 74.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' GLU . 14.4 m -50.34 -21.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 56' ' ' PHE . 8.8 p-10 -48.02 -36.78 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.906 ' CD2' HD22 ' A' ' 104' ' ' LEU . 68.3 m-85 -76.57 -25.99 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' SER . 14.1 mt-10 -71.35 -24.26 62.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.432 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 41.3 t90 -90.65 -37.82 13.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.521 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -64.54 -54.84 25.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -46.81 -63.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.401 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 4.5 t-20 -45.68 -48.7 14.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.1 mm-40 -45.85 -28.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.503 ' CD1' HD11 ' A' ' 111' ' ' ILE . 79.5 mt -84.61 -45.18 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.414 ' HB ' ' NE2' ' A' ' 114' ' ' HIS . 74.4 t -77.55 108.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 6.6 t -118.82 135.87 23.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.557 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.01 164.89 32.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.92 36.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 56' ' ' PHE . 10.0 mt -86.55 147.35 43.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.0 1.19 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -61.15 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.05 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -44.15 -45.86 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.7 mt -65.25 -61.5 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.93 -52.07 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -63.74 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -44.64 96.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -49.54 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -52.42 -39.97 61.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.81 -57.1 19.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.906 HD22 ' CD2' ' A' ' 56' ' ' PHE . 39.2 mt -58.24 -62.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.42 -45.09 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -62.52 -56.08 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.1 t80 -45.91 -56.51 5.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.648 HD12 HG21 ' A' ' 111' ' ' ILE . 3.7 tp -62.77 -44.16 99.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.14 -36.72 13.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -42.66 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.648 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -55.03 -43.93 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -53.59 -56.31 18.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.259 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.93 -43.47 2.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.414 ' NE2' ' HB ' ' A' ' 70' ' ' VAL . 7.2 t-80 -43.43 132.87 3.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 0.796 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -46.22 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.28 -35.69 65.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.06 -44.94 52.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.696 ' O ' HD12 ' A' ' 41' ' ' ILE . 58.5 mt-30 -52.94 -21.6 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -92.82 -35.04 13.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -64.9 121.17 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -29.62 68.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.81 -23.62 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.7 tp -79.23 -49.03 13.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.539 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 72.9 m-70 -63.4 -55.95 20.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.7 OUTLIER -52.87 -24.04 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.732 ' HA ' HD11 ' A' ' 132' ' ' ILE . 55.7 t80 -85.67 -8.9 57.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.639 ' O ' HG11 ' A' ' 49' ' ' VAL . 31.8 mt -107.36 -94.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.443 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 42.8 mt-30 -39.83 -66.16 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.32 115.45 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.419 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 3.0 pm0 -67.27 -47.37 70.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.98 126.14 48.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.82 HD12 ' NH1' ' A' ' 51' ' ' ARG . 21.5 mt -91.07 137.13 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 134' ' ' ARG . 32.1 t70 -103.57 79.59 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 133' ' ' ASP . 2.7 mtt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.522 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.8 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 9.2 p90 -156.63 128.36 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.817 ' CD2' ' HB1' ' A' ' 112' ' ' ALA . 3.4 tp -125.2 105.55 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.01 158.5 44.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.711 HD13 ' CG1' ' A' ' 108' ' ' ILE . 3.2 mt -127.24 153.3 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -119.09 147.75 43.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.434 HG13 ' CA ' ' A' ' 105' ' ' GLU . 5.9 mm -133.56 98.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -152.65 -174.14 4.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.513 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.7 t30 64.94 59.28 1.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.02 113.01 3.69 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -114.49 141.45 47.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.9 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 53.6 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.469 ' CE1' ' HG3' ' A' ' 101' ' ' ARG . 61.1 m-85 -150.95 133.31 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.11 105.58 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 t -83.58 91.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -98.6 102.49 14.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 2.9 tmm? -97.91 154.74 17.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' SD ' ' A' ' 35' ' ' MET . 20.2 mtp180 -149.56 115.58 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.512 ' HB ' HD12 ' A' ' 11' ' ' LEU . 9.1 t -136.17 172.62 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -134.36 16.99 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 9' ' ' ASN . 35.4 mt -91.68 154.66 44.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -74.94 -37.59 2.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.766 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.2 pt -37.77 -44.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.766 ' CE1' HD11 ' A' ' 41' ' ' ILE . 81.4 m-85 -82.61 138.26 34.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -75.04 -51.34 13.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' A' ' 128' ' ' GLN . 11.2 mt -92.29 139.17 30.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -72.78 -31.16 64.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.91 142.1 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -156.2 165.91 35.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.83 141.33 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.0 m -145.45 165.74 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.82 109.66 15.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.27 151.24 49.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.406 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 74.2 mtm180 -79.7 158.48 26.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -47.93 -44.14 29.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.8 m -47.48 -26.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.6 ' OD1' ' CD2' ' A' ' 56' ' ' PHE . 3.8 p-10 -55.93 -35.99 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.909 ' CE2' HD13 ' A' ' 104' ' ' LEU . 52.2 m-85 -73.28 -49.21 28.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -50.19 -25.54 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.546 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 70.4 t90 -84.99 -54.83 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 108.04 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.694 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -51.19 -47.06 62.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.666 ' HD3' HD12 ' A' ' 74' ' ' LEU . 4.8 tttm -60.11 -64.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -47.8 -37.74 14.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.546 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 3.6 mm-40 -51.41 -24.46 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.507 ' HB2' HG21 ' A' ' 71' ' ' VAL . 10.5 mt -98.71 -32.37 11.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.508 HG23 ' CE1' ' A' ' 114' ' ' HIS . 7.5 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.1 t -98.24 101.77 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 63' ' ' LEU . 8.9 t -86.97 137.29 33.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.04 166.57 28.87 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 147.02 33.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.666 HD12 ' HD3' ' A' ' 60' ' ' LYS . 14.2 mt -94.68 151.48 39.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 112.92 3.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.953 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 p -59.43 -59.39 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -41.13 -57.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.2 mt -53.2 -52.37 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -49.76 -50.19 45.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -59.34 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -60.18 -46.27 90.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.469 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 2.4 ttp180 -42.78 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -53.36 -49.39 67.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.0 -66.69 0.65 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.421 1.075 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.909 HD13 ' CE2' ' A' ' 56' ' ' PHE . 80.9 mt -50.7 -61.65 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.434 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.7 tt0 -38.33 -48.21 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -56.81 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.5 t80 -44.8 -58.99 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.865 HD12 HG21 ' A' ' 111' ' ' ILE . 7.0 tp -60.73 -43.55 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -41.95 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -42.95 16.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.865 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -54.81 -36.91 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.817 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -63.96 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.97 -31.26 0.09 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.508 ' CE1' HG23 ' A' ' 69' ' ' ILE . 4.0 t-80 -58.27 128.15 81.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.4 mt -61.03 -38.87 87.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.05 -44.64 60.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.682 ' O ' HD12 ' A' ' 41' ' ' ILE . 50.4 mt-30 -49.21 -25.23 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -90.52 -40.28 12.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -45.51 142.78 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.19 -24.77 25.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 27.2 p -61.89 -42.53 99.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 tp -64.53 -53.61 45.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 127' ' ' LEU . 32.6 m-70 -44.86 -55.05 5.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.547 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.544 ' SD ' HG23 ' A' ' 132' ' ' ILE . 1.1 ttm -54.85 -56.46 19.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.694 ' CD2' HD22 ' A' ' 59' ' ' LEU . 46.6 t80 -36.57 -32.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' MET . 3.8 mt -112.78 157.49 21.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.569 ' HB3' HD12 ' A' ' 44' ' ' LEU . 30.2 mt-30 75.27 -55.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.46 130.74 40.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -72.27 -67.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -94.95 127.55 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.544 HG23 ' SD ' ' A' ' 125' ' ' MET . 59.2 mt -82.28 133.34 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -93.36 80.29 4.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.533 ' HB3' HD21 ' A' ' 39' ' ' LEU . 5.3 m120 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.0 p90 -158.03 133.61 8.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.482 HD12 ' HB ' ' A' ' 37' ' ' THR . 6.0 tp -129.34 102.77 6.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -130.61 164.17 25.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.4 mt -135.58 156.6 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.79 141.7 50.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.524 HG23 ' CB ' ' A' ' 31' ' ' TYR . 2.1 mm -129.45 98.98 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -153.32 -174.34 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 4.3 t-20 68.24 62.32 0.68 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.03 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.25 119.49 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.524 ' CB ' HG23 ' A' ' 15' ' ' ILE . 58.1 m-85 -120.03 143.45 48.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.82 96.56 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.603 HG21 ' HB2' ' A' ' 51' ' ' ARG . 6.8 t -77.57 91.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.57 99.41 11.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.567 ' SD ' HD13 ' A' ' 127' ' ' LEU . 9.7 ttp -93.83 143.84 25.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' N ' ' HG2' ' A' ' 35' ' ' MET . 29.8 ptt180 -140.79 145.19 36.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.627 HG21 ' CD1' ' A' ' 42' ' ' PHE . 5.5 t -172.97 162.81 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.406 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -120.72 14.77 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 9' ' ' ASN . 33.2 mt -82.69 154.08 68.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.5 Cg_endo -74.97 -37.13 2.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.784 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.1 pt -37.76 -44.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.784 ' CE1' HD11 ' A' ' 41' ' ' ILE . 83.4 m-85 -84.67 151.16 24.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -94.97 -42.57 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -97.18 141.74 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -88.33 -35.97 16.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.79 126.37 15.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.227 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.12 163.1 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.408 ' C ' HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -135.4 145.36 47.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 108.359 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.408 HG13 ' C ' ' A' ' 48' ' ' CYS . 28.6 m -152.72 163.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -87.62 127.91 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.603 ' HB2' HG21 ' A' ' 33' ' ' VAL . 12.0 mmp_? -139.74 127.17 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -109.48 164.1 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 50.3 t80 -50.04 -38.26 37.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -48.07 71.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.24 -55.22 13.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.736 ' CD2' HD22 ' A' ' 104' ' ' LEU . 34.3 m-85 -47.7 -51.15 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.02 -54.67 6.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.447 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 48.6 t90 -50.67 -49.06 58.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 108.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.564 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -56.88 -49.81 74.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -58.02 -62.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.47 -51.58 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 30.6 mm-40 -40.45 -41.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.532 ' CD1' HD11 ' A' ' 111' ' ' ILE . 64.9 mt -68.77 -59.55 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.418 HD11 ' HB3' ' A' ' 116' ' ' LEU . 3.3 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.6 t -90.11 103.81 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 63' ' ' LEU . 13.0 t -82.62 140.49 44.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.575 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.97 163.49 35.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.443 1.759 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.8 42.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 mt -100.86 151.24 37.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.592 ' O ' ' CE1' ' A' ' 53' ' ' TYR . 18.2 Cg_endo -75.04 112.82 3.65 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.456 1.766 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.29 -51.77 18.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -51.41 -44.7 62.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.6 mt -60.58 -52.14 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.14 -58.76 6.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -62.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.42 -47.85 84.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -50.22 -60.2 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -64.81 -47.61 77.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -43.99 -62.88 2.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.736 HD22 ' CD2' ' A' ' 56' ' ' PHE . 26.2 mt -52.59 -55.95 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 1.6 tt0 -49.17 -49.1 44.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -43.29 96.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.9 t80 -62.42 -60.21 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.461 HD12 HG21 ' A' ' 111' ' ' ILE . 5.7 tp -58.98 -28.26 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 105' ' ' GLU . 0.7 OUTLIER -60.22 -61.07 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -37.82 88.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.532 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -61.55 -53.91 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.513 ' N ' HG22 ' A' ' 111' ' ' ILE . . . -52.42 -63.09 1.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ALA . . . -37.63 -34.85 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -53.11 126.28 43.69 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.567 0.804 . . . . 0.0 109.62 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.3 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 116' ' ' LEU . 4.3 mt -62.31 -38.04 87.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -72.47 -43.13 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.61 ' O ' HD12 ' A' ' 41' ' ' ILE . 52.6 mt-30 -46.73 -24.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -89.43 -37.02 15.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 117' ' ' ALA . 45.0 mm-40 -48.58 133.96 16.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -78.9 -45.4 20.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.8 p -44.13 -45.82 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.272 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' HIS . 1.9 tp -64.13 -60.93 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' LEU . 5.4 m-70 -39.25 -48.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.434 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.4 OUTLIER -58.51 -54.34 48.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.767 ' HA ' HD11 ' A' ' 132' ' ' ILE . 58.0 t80 -37.92 -32.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.567 HD13 ' SD ' ' A' ' 35' ' ' MET . 2.6 mt -109.06 160.22 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 127' ' ' LEU . 74.0 mt-30 72.57 -56.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.77 107.15 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -49.67 51.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -111.92 126.78 55.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.767 HD11 ' HA ' ' A' ' 126' ' ' PHE . 41.6 mt -79.44 112.16 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -75.21 96.25 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.635 ' HB2' HD21 ' A' ' 39' ' ' LEU . 2.5 p-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.4 p90 -157.98 122.93 4.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.784 HD21 ' HB1' ' A' ' 112' ' ' ALA . 3.3 tp -118.99 110.11 16.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.11 159.91 40.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.99 140.68 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.16 140.23 48.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.46 HG22 ' HG3' ' A' ' 101' ' ' ARG . 2.2 mt -128.16 102.77 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -147.39 -174.49 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.44 65.58 0.9 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.12 25.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.92 122.66 9.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -148.3 139.3 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' OE1' ' CA ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -78.11 118.16 20.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.5 t -97.15 102.15 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -107.83 105.34 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 3.0 tmm? -101.95 154.13 19.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' N ' ' SD ' ' A' ' 35' ' ' MET . 1.1 mtm180 -151.85 110.48 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.724 ' HB ' HD12 ' A' ' 11' ' ' LEU . 12.2 t -132.74 166.36 22.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -125.25 20.64 8.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.8 mt -92.43 153.6 42.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.98 -37.92 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.785 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.2 pt -38.35 -44.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.785 ' CE1' HD11 ' A' ' 41' ' ' ILE . 84.7 m-85 -82.87 129.17 34.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -67.14 -54.57 20.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mt -88.77 150.12 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -89.56 -40.58 12.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -145.65 141.03 27.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 t -156.88 166.97 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t -133.94 124.61 26.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 108.291 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.1 m -145.16 167.32 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -111.42 130.01 55.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.404 ' NH1' ' O ' ' A' ' 130' ' ' GLU . 33.4 mmt180 -135.51 128.07 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -83.63 165.79 18.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.457 ' CD1' ' HD2' ' A' ' 100' ' ' ARG . 47.1 t80 -58.91 -24.09 61.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.9 m -74.7 -51.5 14.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -43.19 -44.86 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.654 ' CD2' HD22 ' A' ' 104' ' ' LEU . 20.8 m-85 -58.26 -45.09 88.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.38 -49.04 73.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.561 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 16.5 t90 -63.91 -34.54 78.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.524 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -65.93 -50.8 63.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.617 ' HA ' HD12 ' A' ' 63' ' ' LEU . 13.2 tttm -58.84 -61.97 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.46 -34.81 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.561 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.6 mm-40 -60.37 -37.3 80.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.884 HD13 HD11 ' A' ' 111' ' ' ILE . 0.6 OUTLIER -84.39 -8.04 59.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.656 HG12 HD12 ' A' ' 116' ' ' LEU . 3.9 mt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.65 105.08 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 72' ' ' PRO . 4.1 t -98.86 140.25 21.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.1 Cg_endo -75.05 160.87 39.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.4 35.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.813 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 18.8 mt -93.78 143.27 26.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.441 ' O ' ' CE1' ' A' ' 53' ' ' TYR . 18.3 Cg_endo -74.96 109.99 3.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.4 OUTLIER -47.59 -61.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -43.6 -52.41 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.7 mt -56.1 -35.3 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 95' ' ' SER . 17.3 tt0 -74.34 -57.17 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.33 -48.24 9.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.457 ' HD2' ' CD1' ' A' ' 53' ' ' TYR . 7.2 tpp180 -65.84 -50.72 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.46 ' HG3' HG22 ' A' ' 15' ' ' ILE . 4.6 ttt180 -51.73 -68.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -54.59 -38.96 67.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.44 -62.3 5.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.654 HD22 ' CD2' ' A' ' 56' ' ' PHE . 55.2 mt -51.81 -48.15 63.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 108' ' ' ILE . 0.7 OUTLIER -51.54 -55.47 18.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -55.43 -47.87 75.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 6.3 t80 -54.07 -59.01 5.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.759 HD12 HG21 ' A' ' 111' ' ' ILE . 4.6 tp -61.16 -42.15 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -39.77 41.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -40.72 15.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.884 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -56.59 -48.04 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.784 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -58.47 -47.28 84.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -48.27 -35.47 14.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -55.35 135.85 69.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.447 1.761 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.656 HD12 HG12 ' A' ' 69' ' ' ILE . 7.4 mt -56.7 -37.14 70.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.03 -44.68 68.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.662 ' O ' HD12 ' A' ' 41' ' ' ILE . 63.1 mt-30 -52.74 -24.21 8.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -92.28 -31.78 15.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.436 ' HG3' HD23 ' A' ' 63' ' ' LEU . 49.7 mm-40 -54.32 140.21 34.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.2 -48.97 9.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 24.9 p -44.11 -33.61 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 108.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.71 -52.08 28.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -55.96 -28.97 59.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.421 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -72.76 -31.05 64.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.524 ' CG ' HD22 ' A' ' 59' ' ' LEU . 43.7 t80 -70.1 -20.06 63.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.0 mt -116.0 150.99 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 77.09 -54.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.251 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.09 153.64 30.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.404 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 19.3 tp10 -93.02 -61.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.56 129.21 45.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.421 ' HA ' ' SD ' ' A' ' 125' ' ' MET . 16.7 mt -84.13 114.96 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -72.03 79.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.486 ' HB2' HD21 ' A' ' 39' ' ' LEU . 12.2 p30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.8 p90 -157.26 122.42 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.0 tp -120.73 104.62 10.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -132.19 157.88 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.482 HD13 HG12 ' A' ' 108' ' ' ILE . 4.3 mt -129.13 152.23 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.7 139.48 53.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.5 HG22 ' HG3' ' A' ' 101' ' ' ARG . 2.6 mt -130.87 102.49 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -151.29 -174.9 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER 66.42 64.46 0.83 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -75.04 145.65 31.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.26 117.71 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 110.431 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -150.78 151.12 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.99 99.07 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.8 t -78.03 97.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -105.04 107.94 19.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 4.6 tmm? -104.53 155.23 19.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' N ' ' SD ' ' A' ' 35' ' ' MET . 2.9 mtp180 -147.79 107.03 3.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.52 ' HB ' HD12 ' A' ' 11' ' ' LEU . 13.8 t -128.65 170.6 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.32 13.98 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 9' ' ' ASN . 32.6 mt -86.01 155.98 57.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.0 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.785 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.6 pt -38.43 -44.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.785 ' CE1' HD11 ' A' ' 41' ' ' ILE . 81.4 m-85 -83.34 129.85 35.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -68.99 -52.95 23.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.81 149.2 23.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -86.13 -32.42 21.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -159.35 143.95 15.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 t -156.66 168.32 27.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.6 p -134.41 129.43 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.41 176.76 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 144.37 41.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 14.6 tpp180 -156.65 128.62 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -85.54 178.54 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -73.74 -25.53 60.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -41.04 61.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.408 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -48.84 -49.25 40.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.797 ' CD2' HD22 ' A' ' 104' ' ' LEU . 25.2 m-85 -54.31 -45.91 72.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 1.3 mt-10 -52.78 -36.12 57.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.405 ' CZ3' ' SG ' ' A' ' 122' ' ' CYS . 14.4 t90 -71.3 -45.52 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.033 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.11 -46.05 90.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 63' ' ' LEU . 19.5 tttm -64.17 -64.56 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -48.62 -30.33 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.49 -35.15 79.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 111' ' ' ILE . 39.8 mt -71.9 -45.26 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -86.06 102.61 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 4.0 t -104.25 137.25 19.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.576 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -74.99 164.58 33.08 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 151.5 39.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.443 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 28.0 mt -94.36 148.53 35.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 81.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.9 t -42.92 -59.18 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.94 -52.28 25.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.7 mt -49.67 -48.22 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.84 -54.2 45.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -57.05 9.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.05 -52.62 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.5 ' HG3' HG22 ' A' ' 15' ' ' ILE . 1.1 ttp-105 -49.86 -68.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -54.9 -45.96 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.59 -69.39 0.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.797 HD22 ' CD2' ' A' ' 56' ' ' PHE . 42.5 mt -40.83 -55.29 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.272 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.93 -44.59 9.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -55.89 20.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -44.42 -54.54 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.594 HD12 ' CG2' ' A' ' 111' ' ' ILE . 5.1 tp -66.57 -50.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.453 ' N ' HG23 ' A' ' 108' ' ' ILE . 0.7 OUTLIER -39.42 -35.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.91 -59.91 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.594 ' CG2' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -42.03 -31.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -63.28 -56.98 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.97 -36.48 2.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.562 1.163 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 116' ' ' LEU . 3.1 t60 -52.89 126.56 42.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.612 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.56 2.45 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.6 mt -64.46 -26.79 68.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.73 -40.34 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.501 ' O ' HD12 ' A' ' 41' ' ' ILE . 66.8 mt-30 -52.36 -25.17 9.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -89.74 -41.57 11.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.431 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 44.4 mm-40 -39.62 135.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -78.26 -22.04 48.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.405 ' SG ' ' CZ3' ' A' ' 58' ' ' TRP . 40.8 t -64.11 -56.89 11.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 tp -52.3 -57.02 11.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 127' ' ' LEU . 22.1 m-70 -43.61 -56.26 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.4 OUTLIER -57.64 -53.27 60.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.796 ' HA ' HD11 ' A' ' 132' ' ' ILE . 36.8 t80 -37.86 -44.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 124' ' ' HIS . 1.4 mt -103.58 165.38 11.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 77.03 -54.76 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.05 150.31 27.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -85.18 -59.57 2.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.91 125.55 45.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.796 HD11 ' HA ' ' A' ' 126' ' ' PHE . 29.3 mt -81.98 114.24 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 134' ' ' ARG . 1.8 m-20 -72.57 74.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 133' ' ' ASP . 14.0 mtp180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.476 ' HB2' HD21 ' A' ' 39' ' ' LEU . 2.9 p-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 9.6 p90 -156.86 122.69 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.779 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.1 tp -120.33 106.1 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -132.04 160.81 34.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mt -134.8 139.62 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.01 141.21 47.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' A' ' 31' ' ' TYR . 1.7 mt -132.07 104.87 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 101' ' ' ARG . 44.1 p90 -151.0 -174.83 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 58.17 71.97 0.95 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.51 28.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.8 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -145.3 118.63 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.5 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 52' ' ' ARG . 2.6 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.426 ' HB2' HG23 ' A' ' 15' ' ' ILE . 17.2 m-85 -97.38 156.6 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.55 96.67 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.7 t -78.78 108.21 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -110.53 102.17 10.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.413 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tmm? -99.82 153.49 19.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -151.32 111.23 4.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.609 ' HB ' HD12 ' A' ' 11' ' ' LEU . 11.5 t -130.99 170.1 14.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -131.46 19.06 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.2 mt -93.43 154.72 41.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -38.21 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.747 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.1 pt -38.08 -44.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' A' ' 41' ' ' ILE . 81.0 m-85 -81.86 131.19 35.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -66.01 -55.14 18.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.072 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.6 mt -91.73 143.52 26.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -79.59 -29.8 41.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -165.89 144.26 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.4 170.64 21.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.6 p -125.24 117.67 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.265 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.4 m -136.93 173.04 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 6.4 ptt180 -125.71 123.29 38.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 12.7 mmp_? -123.58 152.83 41.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.468 ' HB3' HG22 ' A' ' 30' ' ' THR . 19.0 ptt180 -120.71 150.02 41.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -39.61 -43.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -45.57 69.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ARG . 83.1 m-20 -55.1 -56.44 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.736 ' HB3' HD21 ' A' ' 74' ' ' LEU . 65.0 m-85 -47.1 -41.9 18.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -61.01 -48.15 83.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.605 ' CZ2' ' OE1' ' A' ' 62' ' ' GLU . 6.7 t90 -63.23 -42.61 99.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.3 -52.32 64.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' LEU . 15.0 tttm -56.9 -69.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -45.59 -34.78 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.605 ' OE1' ' CZ2' ' A' ' 58' ' ' TRP . 0.7 OUTLIER -69.61 -39.28 77.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.529 ' CD1' HD11 ' A' ' 111' ' ' ILE . 3.1 mt -60.11 -43.22 95.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.7 t -95.59 100.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 10.6 t -100.64 137.17 19.8 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.07 159.11 41.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.34 40.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.736 HD21 ' HB3' ' A' ' 56' ' ' PHE . 12.5 mt -94.35 150.2 37.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 93.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.9 -58.73 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -57.51 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 13.3 mt -47.91 -57.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.21 -49.09 70.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -57.23 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -53.67 -55.32 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 16' ' ' PHE . 20.2 ttp180 -46.96 -66.61 0.38 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.15 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -41.08 -60.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.24 -63.23 1.87 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.586 HD22 ' CD2' ' A' ' 56' ' ' PHE . 45.8 mt -44.03 -59.43 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.97 -46.6 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -55.18 23.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 5.3 t80 -43.91 -58.8 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.698 HD12 HG21 ' A' ' 111' ' ' ILE . 4.4 tp -61.27 -49.53 84.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.434 ' N ' HG23 ' A' ' 108' ' ' ILE . 1.2 m-80 -44.35 -37.85 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 -40.82 13.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.698 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -55.89 -48.45 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.779 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -56.74 -57.84 10.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.78 -33.0 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -58.06 131.89 83.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.0 mt -56.76 -36.59 69.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.417 ' HB1' HD22 ' A' ' 123' ' ' LEU . . . -73.39 -48.48 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.671 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.1 mt-30 -47.02 -25.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.52 -43.77 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.05 138.35 15.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 -41.32 17.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 27.3 p -44.92 -41.05 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.31 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.417 HD22 ' HB1' ' A' ' 117' ' ' ALA . 9.7 tp -60.98 -58.65 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -39.89 -61.41 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 127' ' ' LEU . 1.9 ttm -37.71 -57.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.553 ' CD1' HD22 ' A' ' 59' ' ' LEU . 15.8 t80 -36.9 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' MET . 2.6 mt -112.92 155.59 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 77.76 -54.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.13 115.29 9.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -51.02 39.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -114.3 164.76 13.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 20.9 mm -91.83 103.74 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 134' ' ' ARG . 28.5 t0 -82.88 76.63 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 133' ' ' ASP . 7.4 mtm-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HB2' HD21 ' A' ' 39' ' ' LEU . 11.3 p30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 34.5 p90 -154.23 124.4 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.766 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.2 tp -123.2 112.96 18.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.18 155.03 43.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.563 HD13 ' CG1' ' A' ' 108' ' ' ILE . 3.3 mt -124.48 149.37 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.576 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 5.8 m-20 -114.71 148.19 38.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.431 HG13 ' CA ' ' A' ' 105' ' ' GLU . 10.8 mm -132.6 98.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -152.43 -174.91 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 64.23 62.94 1.38 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -75.02 135.04 18.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -140.65 128.69 22.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.2 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.528 ' OH ' HG23 ' A' ' 97' ' ' ILE . 72.2 m-85 -148.73 145.29 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 96.83 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 15' ' ' ILE . 48.7 t -77.68 91.83 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -97.76 107.98 20.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.465 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.2 tmm? -103.66 154.86 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' SD ' ' A' ' 35' ' ' MET . 2.0 mtt85 -149.48 114.73 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.661 ' HB ' HD12 ' A' ' 11' ' ' LEU . 7.6 t -138.22 171.61 14.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.46 ' ND2' ' CD2' ' A' ' 10' ' ' PHE . 5.3 p30 -131.71 11.92 4.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 9' ' ' ASN . 24.9 mt -81.68 154.96 71.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.94 -38.21 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.776 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.8 pt -38.33 -44.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.776 ' CE1' HD11 ' A' ' 41' ' ' ILE . 82.0 m-85 -84.05 136.95 33.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -74.96 -54.31 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.22 144.3 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -80.72 -31.07 36.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 47' ' ' SER . 5.1 tt0 -152.92 142.1 21.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 5.5 p -156.7 155.84 32.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.42 121.81 25.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.345 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.9 m -125.12 173.71 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -123.5 118.43 27.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -150.81 154.38 37.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -107.57 174.85 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 21.7 t80 -50.1 -32.87 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.4 t -58.94 -21.26 57.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.539 ' CG ' ' CE1' ' A' ' 126' ' ' PHE . 44.8 t0 -70.99 -66.45 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.754 ' CD1' HD22 ' A' ' 104' ' ' LEU . 92.7 m-85 -45.41 -38.08 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 53' ' ' TYR . 3.8 mt-10 -61.17 -45.34 95.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -65.79 -42.28 90.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 107.986 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -53.04 61.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -55.21 -64.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -48.67 -34.35 11.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HG2' ' CB ' ' A' ' 122' ' ' CYS . 3.8 tp10 -66.21 -40.8 90.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.513 ' CD1' HD11 ' A' ' 111' ' ' ILE . 18.7 mt -65.11 -49.02 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.319 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.4 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.8 t -93.23 101.98 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.8 t -91.94 138.64 24.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 168.42 24.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 143.71 29.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 56' ' ' PHE . 18.4 mt -98.22 150.36 36.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 61.9 5.76 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.39 -59.56 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -46.21 -54.97 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.528 HG23 ' OH ' ' A' ' 31' ' ' TYR . 3.5 mt -55.12 -61.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -43.3 -57.63 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.54 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -51.1 71.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -39.68 -66.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.2 -44.52 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.36 -67.98 1.21 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.434 1.084 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.754 HD22 ' CD1' ' A' ' 56' ' ' PHE . 49.7 mt -49.47 -62.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.431 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.1 tt0 -39.09 -53.01 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -53.81 53.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.3 t80 -49.5 -59.01 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.752 HD12 HG21 ' A' ' 111' ' ' ILE . 6.1 tp -60.21 -40.07 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.01 -45.19 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.86 -40.24 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.752 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -57.22 -42.4 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.766 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -61.01 -61.26 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.23 -34.65 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 115' ' ' PRO . 5.3 t-80 -54.33 131.28 61.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.753 . . . . 0.0 109.643 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.3 Cg_endo -75.01 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mt -59.44 -41.81 90.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -68.08 -50.89 52.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.66 ' O ' HD12 ' A' ' 41' ' ' ILE . 66.7 mt-30 -42.7 -27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.93 -41.88 10.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ALA . 30.0 mm-40 -42.05 148.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.95 -47.55 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.403 ' CB ' ' HG2' ' A' ' 62' ' ' GLU . 1.9 p -42.76 -42.53 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 tp -64.19 -57.27 10.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' LEU . 26.6 m-70 -45.67 -42.88 12.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.51 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -69.69 -40.6 76.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.658 ' HA ' HD11 ' A' ' 132' ' ' ILE . 50.8 t80 -52.26 -24.36 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 124' ' ' HIS . 3.9 mt -122.05 155.76 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 77.02 -54.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.256 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.3 105.97 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -47.13 -60.07 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -105.41 129.06 53.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.658 HD11 ' HA ' ' A' ' 126' ' ' PHE . 49.8 mt -81.57 115.85 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -75.88 77.44 2.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -142.58 -60.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 60.31 172.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.55 108.09 0.22 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -144.3 143.27 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 109.951 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.2 p -172.78 168.89 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.49 115.76 0.6 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m 61.87 133.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.422 ' HB2' HD21 ' A' ' 39' ' ' LEU . 3.5 p-10 -72.89 144.44 47.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 32.1 p90 -155.38 124.43 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.782 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.2 tp -122.73 110.29 15.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -143.74 154.75 43.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.551 HD13 ' CG1' ' A' ' 108' ' ' ILE . 3.1 mt -124.87 148.31 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.528 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 4.4 m-20 -113.32 146.15 39.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 31' ' ' TYR . 4.3 mm -130.15 101.9 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -152.22 -175.16 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 10.5 t-20 65.17 63.83 1.07 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.4 Cg_endo -74.98 108.58 2.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -107.04 134.25 50.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.2 m -89.07 142.16 27.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.716 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -120.67 166.29 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.2 175.88 0.1 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.24 142.47 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.83 -103.09 0.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -142.66 174.79 10.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 45.99 28.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.69 172.16 5.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.716 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 4.0 p90 -140.45 174.23 10.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 30' ' ' THR . 1.0 OUTLIER -137.06 166.18 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.8 p -120.77 -178.87 3.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.495 ' HB3' HG23 ' A' ' 15' ' ' ILE . 65.9 m-85 -147.32 142.89 27.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.989 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.55 101.6 9.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 t -83.75 95.35 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -106.55 108.16 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.59 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.1 tmm? -98.55 154.81 17.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' SD ' ' A' ' 35' ' ' MET . 10.1 mtp180 -150.54 114.18 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.54 ' HB ' HD12 ' A' ' 11' ' ' LEU . 10.8 t -137.61 176.9 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.79 10.86 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.9 mt -79.79 155.42 75.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -75.0 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.773 HD11 ' CE1' ' A' ' 42' ' ' PHE . 6.8 pt -38.9 -43.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.773 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.5 m-85 -84.47 127.36 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -47.82 71.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 mt -94.35 145.32 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -82.93 -34.72 26.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HG3' ' CG ' ' A' ' 36' ' ' ARG . 2.0 tm-20 -147.82 142.49 26.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 7.9 p -156.8 147.06 21.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.6 p -121.47 128.5 52.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.321 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.732 HG21 ' O ' ' A' ' 127' ' ' LEU . 31.2 m -141.86 160.59 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -102.63 134.36 46.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 10.3 tpp180 -156.05 158.78 38.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -125.14 179.88 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.655 ' HD1' HD21 ' A' ' 104' ' ' LEU . 79.3 t80 -63.89 -54.57 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.99 -34.8 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 5.7 m-20 -65.38 -53.55 41.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CE1' ' CZ ' ' A' ' 126' ' ' PHE . 18.7 m-85 -49.5 -30.57 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -22.16 66.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -84.91 -36.7 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.635 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -72.15 -58.34 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.648 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.4 tttm -43.63 -53.55 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -53.81 -45.42 70.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.66 -22.13 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.888 HD13 HD11 ' A' ' 111' ' ' ILE . 6.4 mt -92.27 -27.56 17.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -88.81 40.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -67.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 172.91 104.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.438 ' C ' ' N ' ' A' ' 69' ' ' ILE . 3.5 m -179.5 36.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 42.06 28.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.7 mt -84.58 134.63 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.3 t -102.67 101.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 4.9 t -97.45 137.58 21.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.02 161.43 38.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.08 37.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 12.1 mt -88.84 140.09 29.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -74.98 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 155.51 167.26 16.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -162.66 134.09 5.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 77' ' ' LYS . . . 179.07 124.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tt -170.91 88.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.54 65.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -152.84 125.76 8.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.79 -55.32 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.3 mt -115.32 151.36 45.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 86.68 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -133.19 -46.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.81 167.92 10.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.04 -104.56 0.35 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -88.29 133.07 34.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.243 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -87.61 67.05 9.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.27 94.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.705 HD13 ' CE2' ' A' ' 96' ' ' PHE . 2.1 pp -141.08 109.99 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -144.77 93.85 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -158.22 139.96 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -49.31 -46.15 46.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.8 m -43.31 -59.19 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.705 ' CE2' HD13 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -48.02 -64.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 111.019 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mt -47.26 -47.1 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -56.8 -52.53 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.68 -60.46 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -57.34 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -41.91 -49.64 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -72.7 -53.24 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -41.49 -69.34 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.655 HD21 ' HD1' ' A' ' 53' ' ' TYR . 27.7 mt -43.18 -60.53 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.405 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.8 tt0 -39.95 -48.3 2.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.17 -50.93 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.546 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.2 t80 -51.36 -53.56 35.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.696 HD12 HG21 ' A' ' 111' ' ' ILE . 4.2 tp -65.07 -43.6 95.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.97 -36.92 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.19 -43.25 12.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.888 HD11 HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -54.99 -46.48 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.782 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.06 -40.95 70.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.63 -40.76 80.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.474 ' CE1' ' HG ' ' A' ' 116' ' ' LEU . 5.9 t-80 -49.36 132.59 17.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.778 . . . . 0.0 109.62 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 116' ' ' LEU . 4.9 mt -59.68 -26.55 65.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.75 -41.57 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.733 ' O ' HD12 ' A' ' 41' ' ' ILE . 65.0 mt-30 -53.36 -22.89 8.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -91.86 -35.57 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -49.17 141.64 8.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -44.81 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.1 p -45.23 -44.1 10.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 108.279 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.3 tp -50.29 -60.27 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.556 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 95.3 m-70 -54.17 -51.3 64.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.514 ' CE ' ' CD2' ' A' ' 136' ' ' TYR . 1.2 ttm -51.6 -34.48 37.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.651 ' CZ ' ' CE1' ' A' ' 56' ' ' PHE . 27.4 t80 -79.64 -10.84 59.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.732 ' O ' HG21 ' A' ' 49' ' ' VAL . 28.2 mt -107.86 -90.82 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.489 ' O ' HG11 ' A' ' 49' ' ' VAL . 74.1 mt-30 -38.9 -63.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.96 138.68 57.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.444 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -87.03 -42.65 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.255 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -112.87 125.1 53.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.406 HG23 ' SD ' ' A' ' 125' ' ' MET . 63.7 mt -77.73 147.46 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 134' ' ' ARG . 2.7 m-20 -117.97 83.0 1.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 133' ' ' ASP . 6.4 mtm180 -37.9 129.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 64.1 53.21 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.514 ' CD2' ' CE ' ' A' ' 125' ' ' MET . 40.3 p90 -73.42 178.3 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.93 120.53 48.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.83 20.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.765 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 141' ' ' SER . . . -161.54 138.16 5.28 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt 70.16 -62.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.753 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 139' ' ' GLY . 0.2 OUTLIER 40.14 80.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 39.52 -156.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 91.65 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 25.1 p -66.35 169.35 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.033 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.31 88.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -169.63 157.39 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 t -157.98 154.75 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.8 92.92 0.11 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 p -169.72 94.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -137.96 142.04 40.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.35 -133.21 8.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 m -144.68 165.78 27.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.645 ' HB3' HD21 ' A' ' 39' ' ' LEU . 20.3 m-20 -76.76 159.67 29.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 5.6 p90 -155.89 132.2 10.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.669 HD21 ' HB1' ' A' ' 112' ' ' ALA . 5.5 tp -127.88 107.88 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -134.93 160.35 38.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.72 140.23 46.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.03 142.06 46.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mt -135.89 101.3 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -152.14 -175.12 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 66.98 68.38 0.57 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.4 Cg_endo -75.0 132.42 15.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.492 ' C ' ' HG1' ' A' ' 29' ' ' THR . 43.1 tt0 -138.96 132.69 30.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 28' ' ' PHE . 51.7 m -97.82 150.71 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.597 HG11 ' CE1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -91.44 165.8 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.87 -148.93 1.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -140.29 140.37 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.66 151.96 7.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 32.8 mtt85 -93.43 90.44 6.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 0.809 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . 176.23 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ALA . 3.2 mtt-85 -55.77 -164.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.606 ' O ' HG23 ' A' ' 20' ' ' THR . 3.3 p90 -118.0 174.44 6.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.492 ' HG1' ' C ' ' A' ' 19' ' ' GLN . 3.0 t -134.98 160.08 39.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.581 HG21 ' HG3' ' A' ' 50' ' ' ARG . 39.1 p -115.42 -175.98 2.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.375 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.446 ' CD1' ' HG3' ' A' ' 101' ' ' ARG . 39.2 m-85 -148.28 145.52 28.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.04 100.41 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 51' ' ' ARG . 9.9 t -85.89 92.01 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -102.76 100.76 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.42 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tmm? -93.26 153.38 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -148.2 115.3 6.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.619 ' HB ' HD12 ' A' ' 11' ' ' LEU . 10.9 t -135.79 161.4 35.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.428 ' ND2' ' CD2' ' A' ' 10' ' ' PHE . 1.6 p30 -123.16 27.98 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 9' ' ' ASN . 25.2 mt -104.18 153.43 38.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.01 -37.57 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.756 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.1 pt -37.72 -44.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.756 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.4 m-85 -82.83 130.99 35.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -67.95 -50.21 57.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.18 148.65 22.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -39.86 15.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -148.2 142.78 26.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 t -156.43 170.09 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.7 p -135.63 128.21 30.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.308 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.6 m -143.37 171.67 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.581 ' HG3' HG21 ' A' ' 30' ' ' THR . 0.0 OUTLIER -108.98 112.16 24.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.685 ' NH1' HD12 ' A' ' 132' ' ' ILE . 16.6 mmt180 -121.67 128.39 51.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' HD3' ' CE2' ' A' ' 28' ' ' PHE . 21.7 mtm180 -97.07 159.37 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.501 ' CG ' ' HD3' ' A' ' 100' ' ' ARG . 39.9 t80 -54.09 -19.62 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -81.2 -49.07 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -46.57 -40.94 13.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CG ' HD22 ' A' ' 104' ' ' LEU . 38.9 m-85 -63.04 -44.15 96.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.94 -21.62 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 13.1 t90 -87.29 -37.95 16.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -55.14 22.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -49.89 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -44.14 -51.66 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.5 mm-40 -39.84 -35.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.528 ' CD1' HD11 ' A' ' 111' ' ' ILE . 37.1 mt -82.38 -51.92 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -54.69 -29.46 53.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -51.6 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -176.62 105.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER 171.15 123.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -23.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.462 HG12 ' CB ' ' A' ' 116' ' ' LEU . 6.8 mt -40.09 144.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.2 t -108.02 101.57 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' A' ' 63' ' ' LEU . 13.2 t -84.43 138.4 38.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.95 164.55 33.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.84 30.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.7 mt -86.53 149.58 49.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 96.62 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.35 113.97 0.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.01 152.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 56.47 82.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -124.08 162.07 24.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.41 131.7 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.84 111.07 23.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.17 112.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -41.18 147.5 0.44 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.614 ' N ' HD12 ' A' ' 83' ' ' LEU . 18.2 Cg_endo -75.03 109.37 2.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -48.44 -59.37 3.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -172.0 119.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.247 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.34 76.64 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.23 119.09 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -135.13 -163.24 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.6 -155.35 8.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 39.6 89.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 0.734 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -152.42 -64.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -65.31 140.64 58.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -60.38 -38.36 83.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.5 t -53.73 -57.26 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -48.95 -54.6 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.6 mt -49.04 -68.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -40.99 -51.57 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.35 -59.32 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.501 ' HD3' ' CG ' ' A' ' 53' ' ' TYR . 8.1 ttm180 -64.59 -45.52 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.446 ' HG3' ' CD1' ' A' ' 31' ' ' TYR . 6.7 ttp180 -53.25 -64.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -55.64 -41.38 73.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.76 -57.09 10.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.663 HD22 ' CG ' ' A' ' 56' ' ' PHE . 48.2 mt -53.51 -58.13 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.744 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 108' ' ' ILE . 1.1 tt0 -40.23 -47.73 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -59.8 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 9.1 t80 -43.05 -57.62 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.619 HD12 HG21 ' A' ' 111' ' ' ILE . 3.4 tp -61.52 -44.17 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -39.8 21.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -40.36 16.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.619 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -56.36 -48.51 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.669 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -56.89 -62.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ALA . . . -37.6 -30.79 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 112' ' ' ALA . 4.9 t-80 -57.53 131.45 81.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.3 Cg_endo -75.01 -40.35 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 116' ' ' LEU . 6.2 mt -61.64 -34.83 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.554 ' HB1' HD22 ' A' ' 123' ' ' LEU . . . -75.07 -48.59 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.571 ' O ' HD12 ' A' ' 41' ' ' ILE . 59.1 mt-30 -44.41 -26.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -90.65 -38.78 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' ALA . 38.7 mm-40 -46.77 130.33 11.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -82.64 -21.82 34.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 12.0 p -69.0 -25.9 64.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.554 HD22 ' HB1' ' A' ' 117' ' ' ALA . 9.3 tp -79.2 -59.8 2.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 123' ' ' LEU . 27.9 m-70 -39.57 -54.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.42 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.8 OUTLIER -46.37 -55.4 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.823 ' HA ' HD11 ' A' ' 132' ' ' ILE . 33.2 t80 -40.56 -32.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.42 154.7 20.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 77.34 -54.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.07 111.5 11.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -50.19 -49.81 51.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.239 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -114.55 139.15 49.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.823 HD11 ' HA ' ' A' ' 126' ' ' PHE . 4.8 mt -88.66 118.86 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -78.5 105.5 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 132' ' ' ILE . 21.9 mtt85 -70.19 -5.98 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -109.14 41.33 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 136' ' ' TYR . 0.1 OUTLIER -88.39 175.46 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.95 112.36 64.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 122.73 7.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 136.72 171.72 12.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.62 109.29 20.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.5 m -73.58 -71.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -66.83 125.23 25.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.575 1.172 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 42.3 t -116.72 112.84 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 170.41 13.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -128.88 170.82 12.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.014 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.6 103.03 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.921 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.76 -169.46 4.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.56 -60.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 p 59.0 111.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.67 -161.36 28.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.2 p -42.78 137.86 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.646 ' HB2' HD21 ' A' ' 39' ' ' LEU . 7.4 p30 -66.45 155.74 36.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 4.5 p90 -150.77 122.72 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.74 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.7 tp -122.06 105.63 10.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -134.03 160.98 36.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.476 HD13 ' CG1' ' A' ' 108' ' ' ILE . 2.9 mt -133.3 149.17 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -118.72 140.86 49.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mt -135.69 103.73 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.86 -176.67 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 68.78 65.08 0.55 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.46 125.78 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -111.04 126.76 55.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.742 HG13 ' CE2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -139.38 164.06 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.511 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 113.3 169.08 17.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' ARG . 54.1 t -67.18 136.2 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.41 83.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER 170.87 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.91 20.27 12.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.3 177.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.742 ' CE2' HG13 ' A' ' 21' ' ' VAL . 2.1 p90 -140.5 171.08 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.4 m -140.48 154.18 46.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p -149.7 167.29 26.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 2.7 m-85 -134.26 162.38 32.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.27 100.63 11.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.4 t -82.91 93.52 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.2 114.49 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.503 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.7 tmm? -106.41 153.64 21.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -145.52 113.71 6.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.608 ' HB ' HD12 ' A' ' 11' ' ' LEU . 13.6 t -136.34 167.04 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.435 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -130.18 21.51 5.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 9' ' ' ASN . 22.1 mt -96.88 153.23 38.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.02 -37.94 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.727 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.2 pt -37.66 -43.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.727 ' CE1' HD11 ' A' ' 41' ' ' ILE . 77.3 m-85 -80.9 138.18 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -53.08 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.622 HD12 ' HB3' ' A' ' 128' ' ' GLN . 12.9 mt -97.14 151.84 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -87.56 -34.83 18.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -155.67 142.89 19.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 19.4 t -156.67 166.28 33.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.5 p -133.87 123.47 24.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.44 179.26 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.99 136.01 38.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -155.87 166.67 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' CZ ' ' CB ' ' A' ' 52' ' ' ARG . 4.4 mtp-105 -99.68 151.85 20.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' ASP . 8.5 t80 -41.43 -53.97 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' TYR . 4.0 m -37.45 -32.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' TYR . 67.1 t0 -51.93 -59.34 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.842 ' CD2' HD22 ' A' ' 104' ' ' LEU . 51.9 m-85 -47.07 -45.8 22.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.8 -43.8 73.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -69.69 -25.12 63.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 107.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.787 HD11 HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -78.12 -60.15 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.56 ' HA ' HD12 ' A' ' 63' ' ' LEU . 30.8 tttm -43.13 -63.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' GLU . 37.4 t30 -43.07 -56.43 3.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -47.14 -34.3 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.826 HD13 HD11 ' A' ' 111' ' ' ILE . 14.0 mt -77.44 -33.15 54.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' ASN . 15.8 mm-40 -86.97 43.32 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -68.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t0 173.47 49.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -123.55 -147.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -109.81 5.33 22.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.457 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.6 mt -56.74 130.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -104.5 100.72 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.3 t -98.18 136.23 21.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.97 165.62 30.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 148.34 34.86 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 18.6 mt -93.38 144.14 27.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -74.97 63.7 5.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.759 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -129.03 -139.63 4.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.38 143.15 32.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.37 153.08 50.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tp 63.84 81.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.38 165.43 16.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.08 159.52 42.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.32 -55.19 37.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 4.6 mm? -62.05 147.45 90.35 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 83' ' ' LEU . 18.4 Cg_endo -74.97 138.71 23.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -122.55 171.37 9.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 142.5 36.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.14 101.16 0.14 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 169.13 -32.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -126.82 -54.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 91' ' ' ILE . . . -41.69 -81.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.644 HG23 ' CE2' ' A' ' 96' ' ' PHE . 1.8 mt 39.45 86.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 93' ' ' GLU . 21.8 p90 -165.49 -43.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -47.59 142.63 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.343 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -72.03 -5.68 36.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.58 -33.97 13.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.644 ' CE2' HG23 ' A' ' 91' ' ' ILE . 78.9 t80 -69.68 -52.61 24.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.4 mt -53.84 -49.28 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -50.88 64.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -39.81 14.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -78.52 -50.47 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -38.88 -65.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.05 -48.43 76.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -38.4 -58.2 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.842 HD22 ' CD2' ' A' ' 56' ' ' PHE . 79.3 mt -59.18 -57.12 14.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.16 -48.07 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.92 -52.79 62.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.555 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -49.48 -56.54 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.774 HD12 HG21 ' A' ' 111' ' ' ILE . 4.5 tp -61.83 -50.6 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.453 ' N ' HG23 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -42.54 -38.48 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.14 -41.72 13.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.826 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -55.16 -50.12 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.74 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -50.48 -54.01 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.7 -37.65 2.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -54.84 132.15 66.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 109.632 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -47.48 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.486 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.4 mt -52.99 -36.66 60.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.3 -45.43 55.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.627 ' O ' HD12 ' A' ' 41' ' ' ILE . 62.9 mt-30 -51.99 -21.7 3.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -92.09 -34.98 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -51.53 142.22 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -83.28 -45.75 13.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 22.8 p -44.28 -41.24 5.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.28 -55.37 29.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 127' ' ' LEU . 33.4 m80 -46.48 -38.7 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.409 ' C ' ' N ' ' A' ' 127' ' ' LEU . 1.3 ttm -67.88 -54.32 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.478 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 36.6 t80 -41.89 -27.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 124' ' ' HIS . 3.2 mt -115.97 155.96 27.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.622 ' HB3' HD12 ' A' ' 44' ' ' LEU . 26.6 mt-30 75.12 -55.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.31 136.35 42.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -71.27 -73.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -95.3 138.8 32.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' A' ' 126' ' ' PHE . 26.7 mt -88.3 139.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -97.74 126.66 43.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.34 25.31 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -140.3 25.21 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -80.68 175.5 10.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.1 t -108.81 124.25 34.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 178.61 7.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -159.86 119.23 0.88 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -73.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.6 m -55.14 133.7 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -145.07 -124.04 1.68 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.54 1.81 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.5 118.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.8 p -114.81 -58.48 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t 62.5 106.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 0.733 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -150.21 156.05 40.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.64 112.78 0.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -151.46 136.48 17.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.998 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.45 152.65 20.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.53 -132.43 1.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.48 173.2 12.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.649 ' HB2' HD21 ' A' ' 39' ' ' LEU . 2.6 p-10 -90.82 144.13 26.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.546 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 22.2 p90 -151.01 129.4 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.669 HD12 ' HB ' ' A' ' 37' ' ' THR . 5.4 tp -124.4 106.15 9.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -132.31 164.11 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.1 mt -135.83 157.72 38.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.66 132.45 49.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.68 98.73 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -152.4 -175.2 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t30 67.41 71.71 0.41 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 141.3 26.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -137.68 117.79 13.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 m -99.57 146.88 25.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.597 ' CG1' ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -122.51 162.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 52.02 174.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -140.17 140.26 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 0.716 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.85 -142.84 12.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.6 mtm-85 -101.1 171.9 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' ARG . . . 40.19 70.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.477 ' CD ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -109.0 -177.98 3.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.597 ' CE1' ' CG1' ' A' ' 21' ' ' VAL . 2.3 p90 -154.29 173.32 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -140.66 166.37 24.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.502 HG23 ' CE2' ' A' ' 28' ' ' PHE . 1.2 p -125.37 136.9 53.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -111.49 159.11 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.99 104.63 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.8 t -84.47 95.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -107.09 118.62 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.673 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.6 ttp -114.71 142.45 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -137.48 148.87 46.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.719 HG21 ' CD1' ' A' ' 42' ' ' PHE . 5.4 t -171.43 163.89 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.86 12.06 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 9' ' ' ASN . 28.2 mt -82.71 155.35 68.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.02 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.773 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.1 pt -38.02 -45.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.773 ' CE1' HD11 ' A' ' 41' ' ' ILE . 85.1 m-85 -83.42 127.09 33.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -71.4 -41.53 69.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.96 140.77 31.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -77.02 -30.11 55.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.23 144.45 19.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 p -153.59 147.76 25.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 p -124.44 132.03 53.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 108.307 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.4 m -142.71 175.52 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -124.32 122.65 38.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.727 ' NH2' HD12 ' A' ' 132' ' ' ILE . 23.9 mmm180 -146.18 142.49 28.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.06 179.45 6.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.483 ' HD1' HD11 ' A' ' 104' ' ' LEU . 8.6 t80 -71.04 -29.96 66.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -34.72 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.595 ' OD2' ' CE1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -46.29 -55.76 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.773 ' CD2' HD22 ' A' ' 104' ' ' LEU . 58.5 m-85 -48.15 -55.47 10.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -39.71 -47.73 2.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -58.45 -64.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.667 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -44.32 -45.08 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.572 ' HA ' HD12 ' A' ' 63' ' ' LEU . 13.0 tttm -59.28 -58.24 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -52.6 -37.9 59.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.58 -16.7 40.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.664 HD13 HD11 ' A' ' 111' ' ' ILE . 5.8 mt -98.35 -24.81 15.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.69 -25.5 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -58.61 -25.52 62.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 67' ' ' SER . 6.5 t70 174.5 110.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 1.4 m 157.8 131.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.76 44.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.556 HG23 ' CE1' ' A' ' 114' ' ' HIS . 7.5 mt -103.39 153.13 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.4 t -96.0 100.47 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 38.8 t -86.93 136.66 33.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 157.74 42.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.442 1.759 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.72 31.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -86.54 147.6 44.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 70.14 5.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.7 109.44 0.37 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.94 104.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.62 153.17 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.9 tp -103.97 154.43 19.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 81' ' ' ARG . 5.3 mttt -87.28 -76.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER 78.39 158.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 60.31 149.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.47 157.83 34.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 128.34 11.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -88.77 -47.48 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.26 80.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.23 -145.52 18.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -134.28 163.86 28.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -61.85 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.73 136.19 2.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.502 HD13 ' CZ ' ' A' ' 96' ' ' PHE . 2.0 pp -143.99 106.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -150.49 89.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -147.7 142.88 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -46.2 -48.03 17.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.59 -60.85 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.502 ' CZ ' HD13 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -46.34 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.1 mt -48.99 -46.28 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.97 -49.46 76.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -57.36 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -62.82 -34.77 78.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -57.86 -56.51 20.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.263 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -66.44 -50.89 61.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.46 -64.85 1.46 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.773 HD22 ' CD2' ' A' ' 56' ' ' PHE . 55.3 mt -48.53 -56.33 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.88 -44.0 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -54.86 23.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.5 t80 -44.99 -56.22 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.54 HD12 HG21 ' A' ' 111' ' ' ILE . 3.9 tp -63.98 -47.32 91.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.05 -38.2 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.98 -41.98 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.664 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -56.6 -50.84 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.586 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.15 -58.36 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.5 -40.39 0.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.556 ' CE1' HG23 ' A' ' 69' ' ' ILE . 5.6 t-80 -51.01 131.52 30.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.601 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.1 Cg_endo -75.01 -44.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' A' ' 69' ' ' ILE . 8.8 mt -58.57 -33.51 70.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.96 -41.81 61.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.656 ' O ' HD12 ' A' ' 41' ' ' ILE . 70.2 mt-30 -55.73 -19.5 11.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -91.46 -35.91 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -49.36 137.2 14.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -84.56 -19.84 32.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -55.67 19.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 108.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -51.44 -60.96 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -39.63 -33.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.841 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.4 OUTLIER -69.27 -62.81 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.812 ' HA ' HD11 ' A' ' 132' ' ' ILE . 2.5 t80 -36.47 -31.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.673 HD13 ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -110.46 160.23 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 127' ' ' LEU . 77.1 mt-30 73.4 -56.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.32 118.34 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.43 -49.03 73.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -123.06 129.09 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.841 HG23 ' SD ' ' A' ' 125' ' ' MET . 57.8 mt -74.89 126.64 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' ARG . 56.1 m-20 -91.92 82.22 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 133' ' ' ASP . 8.1 mtm180 -37.59 156.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 135' ' ' ASN . 18.9 t30 40.97 66.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -83.23 171.15 13.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.4 t -107.86 115.49 58.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 146.42 32.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.791 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -108.46 5.87 33.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.421 1.075 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.65 103.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 121.28 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -132.29 100.57 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.35 16.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.76 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 29.2 m -115.63 -60.27 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.3 t 57.84 87.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -178.33 149.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -169.16 166.7 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.81 141.16 4.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -153.58 169.55 22.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -165.54 165.65 18.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.74 -171.96 22.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 t -52.74 166.12 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.951 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.635 ' HB3' HD21 ' A' ' 39' ' ' LEU . 7.1 m-80 -116.47 153.62 31.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 17.0 p90 -151.76 122.37 7.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.814 HD21 ' HB1' ' A' ' 112' ' ' ALA . 3.9 tp -124.75 106.64 10.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -130.97 163.32 27.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.2 mt -134.01 159.89 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 2.6 m-20 -130.8 146.94 52.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.506 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.2 mt -137.01 101.54 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 32' ' ' GLU . 47.4 p90 -152.28 -172.73 4.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.3 t-20 64.79 61.31 1.33 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -74.96 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -96.62 134.85 39.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -91.33 155.08 18.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.074 HG21 ' CE1' ' A' ' 28' ' ' PHE . 9.1 t -101.8 166.36 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -41.15 144.71 0.61 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 23' ' ' VAL . 2.0 p -82.41 148.43 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.0 -61.69 0.05 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -167.17 126.74 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 46.94 46.81 15.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -46.83 167.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 1.074 ' CE1' HG21 ' A' ' 21' ' ' VAL . 4.1 p90 -141.95 174.1 10.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 30' ' ' THR . 1.1 m -129.88 164.18 24.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.379 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.5 HG22 ' HE2' ' A' ' 28' ' ' PHE . 72.8 p -116.83 -178.59 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.506 ' HB3' HG23 ' A' ' 15' ' ' ILE . 78.3 m-85 -149.69 135.86 18.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 3.2 mp0 -77.4 104.35 7.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 t -84.21 98.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -108.55 118.96 38.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.913 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.0 ttp -114.21 142.55 46.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.5 ptt180 -132.52 149.93 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.616 ' HB ' HD12 ' A' ' 11' ' ' LEU . 3.4 t -173.82 168.81 4.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -129.98 13.63 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 9' ' ' ASN . 21.9 mt -84.03 156.74 63.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.0 -38.28 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.78 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.776 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.1 pt -38.62 -44.9 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.776 ' CE1' HD11 ' A' ' 41' ' ' ILE . 83.0 m-85 -84.31 133.14 34.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.78 -50.67 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.82 135.12 33.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -72.16 -29.18 63.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -164.71 142.05 6.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -156.83 164.49 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.79 147.71 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.55 HG11 ' O ' ' A' ' 127' ' ' LEU . 26.2 m -148.7 163.87 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -122.9 116.87 24.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -147.83 143.27 27.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -70.05 156.58 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.283 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.464 ' HD1' HD21 ' A' ' 104' ' ' LEU . 2.7 t80 -47.04 -39.56 13.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -19.58 5.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' CE2' ' A' ' 126' ' ' PHE . 5.5 p-10 -62.81 -37.13 85.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.722 ' CD2' HD22 ' A' ' 104' ' ' LEU . 41.3 m-85 -69.86 -34.57 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 5.4 mt-10 -67.01 -21.63 65.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' HD13 ' A' ' 132' ' ' ILE . 33.3 t90 -87.66 -44.87 10.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.597 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.09 -52.36 64.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -51.63 -68.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.15 -44.13 7.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' CG ' ' SG ' ' A' ' 122' ' ' CYS . 0.0 OUTLIER -45.13 -34.28 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.515 ' CD1' HD11 ' A' ' 111' ' ' ILE . 27.1 mt -77.2 -55.52 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.08 -35.75 64.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.68 -58.11 4.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -152.12 99.29 2.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.91 -36.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.14 11.82 8.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.527 HG23 ' CE1' ' A' ' 114' ' ' HIS . 16.0 mt -63.79 152.93 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.9 t -85.97 101.24 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 20.8 t -99.27 138.47 20.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.5 Cg_endo -74.99 164.82 32.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.798 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 145.66 31.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 29.1 mt -85.53 151.26 55.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 61.87 5.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -179.77 136.68 2.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -147.56 152.92 38.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 62.46 96.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.45 123.81 45.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.06 122.04 22.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.0 140.76 31.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 53.66 70.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.795 ' C ' HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -45.85 149.56 1.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.635 ' N ' HD22 ' A' ' 83' ' ' LEU . 18.3 Cg_endo -75.01 115.79 4.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.784 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.63 139.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.09 92.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 124.63 136.52 4.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.61 163.19 38.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -61.24 2.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 100.77 134.42 8.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.499 ' O ' HD12 ' A' ' 91' ' ' ILE . 2.1 pp -138.83 108.68 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 9.1 p90 -145.87 -47.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' PHE . 5.4 mt-10 -38.97 152.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -87.14 -17.95 31.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -52.37 19.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLU . 47.4 t80 -49.15 -67.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.8 mt -40.82 -55.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -45.34 -43.56 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -54.76 -65.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -57.38 -51.75 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -66.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.73 -48.35 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -47.09 -51.13 14.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.552 1.158 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.722 HD22 ' CD2' ' A' ' 56' ' ' PHE . 88.9 mt -62.79 -54.47 38.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -50.18 26.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -60.97 -53.79 52.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.0 t80 -45.58 -57.99 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.687 HD12 HG21 ' A' ' 111' ' ' ILE . 3.5 tp -63.24 -48.85 85.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.422 ' N ' HG23 ' A' ' 108' ' ' ILE . 1.1 m-80 -43.1 -35.69 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.71 -43.04 10.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.687 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -54.31 -48.68 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.814 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -54.78 -57.68 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.02 -36.79 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.527 ' CE1' HG23 ' A' ' 69' ' ' ILE . 5.0 t-80 -47.99 133.81 11.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.26 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 116' ' ' LEU . 7.2 mt -63.07 -28.4 70.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.13 -47.21 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.696 ' O ' HD12 ' A' ' 41' ' ' ILE . 70.5 mt-30 -49.05 -23.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.48 -42.57 12.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -54.56 129.33 35.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -81.32 -25.27 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.43 ' SG ' ' CG ' ' A' ' 62' ' ' GLU . 26.3 p -59.66 -24.25 63.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.86 -48.87 42.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.447 ' CD2' ' CD2' ' A' ' 42' ' ' PHE . 53.8 m80 -60.04 -52.91 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.61 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.423 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 1.1 ttm -49.94 -33.23 16.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.597 ' CD1' HD22 ' A' ' 59' ' ' LEU . 32.9 t80 -77.96 -16.14 58.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.913 HD13 ' SD ' ' A' ' 35' ' ' MET . 36.9 mt -103.19 -93.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 127' ' ' LEU . 74.6 mt-30 -36.23 -67.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.46 142.02 53.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.12 -72.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.04 124.16 30.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.556 HD13 ' CZ3' ' A' ' 58' ' ' TRP . 26.6 mt -74.48 115.41 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 134' ' ' ARG . 39.2 t70 -79.35 80.49 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 133' ' ' ASP . 4.6 mtt180 -37.44 147.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 135' ' ' ASN . 12.3 t30 46.6 69.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -101.51 -177.02 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 73.4 t -114.83 114.05 44.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 73.46 4.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 53.76 179.82 0.13 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -103.31 86.07 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.349 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.7 t -168.94 -56.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 116.8 156.14 10.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 128.11 11.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.6 p -97.62 158.64 15.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.9 m -78.66 169.12 18.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 m -155.6 -54.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 0.725 . . . . 0.0 110.02 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t 62.0 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.48 -167.7 14.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.65 159.61 33.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.03 142.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.58 143.8 7.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.41 145.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.603 ' HB2' HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -110.15 157.91 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.4 p90 -154.79 124.21 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.703 HD21 ' HB1' ' A' ' 112' ' ' ALA . 7.0 tp -127.98 105.17 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -130.99 159.93 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.1 mt -135.98 132.76 50.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -103.51 141.89 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.3 mt -128.91 101.47 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -151.85 -174.9 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.7 m-20 63.46 64.0 1.46 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.1 Cg_endo -74.98 117.45 4.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.46 142.09 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 1.001 HG23 ' O ' ' A' ' 28' ' ' PHE . 87.3 m -116.91 133.11 56.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.534 HG13 ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -112.65 162.34 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -83.29 136.02 14.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.565 HG12 ' H ' ' A' ' 25' ' ' ARG . 45.1 t -154.06 148.21 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.45 -23.67 43.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' H ' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -70.36 -155.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.249 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 27' ' ' ARG . . . -91.77 31.58 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HD3' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER 54.52 166.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 1.001 ' O ' HG23 ' A' ' 20' ' ' THR . 3.7 p90 -161.83 174.44 13.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.9 m -125.2 156.54 38.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.787 HG22 ' CE2' ' A' ' 28' ' ' PHE . 51.9 p -116.41 -175.94 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.657 ' HB3' HG23 ' A' ' 15' ' ' ILE . 81.7 m-85 -150.51 136.77 18.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.96 101.14 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.605 HG21 ' HB2' ' A' ' 51' ' ' ARG . 6.4 t -81.17 104.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -108.34 100.04 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.546 ' SD ' HD13 ' A' ' 127' ' ' LEU . 5.4 ttp -94.95 144.31 25.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.2 ttt180 -143.13 139.62 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.543 HG21 ' CD1' ' A' ' 42' ' ' PHE . 5.8 t -166.68 169.44 13.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -124.38 8.86 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 9' ' ' ASN . 21.8 mt -74.93 152.95 86.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.03 -37.73 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.425 1.75 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.784 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.3 pt -37.98 -44.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.784 ' CE1' HD11 ' A' ' 41' ' ' ILE . 82.5 m-85 -83.26 139.85 32.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -80.06 -41.13 26.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mt -103.29 146.73 28.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -82.83 -34.8 26.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.7 148.29 34.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.4 p -156.43 159.79 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.7 m -136.02 117.23 14.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.2 m -139.13 160.51 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.26 121.95 43.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.605 ' HB2' HG21 ' A' ' 33' ' ' VAL . 2.0 mmt85 -125.38 138.43 54.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -90.12 160.66 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.514 ' CG ' ' HD3' ' A' ' 100' ' ' ARG . 10.0 t80 -60.78 -27.87 68.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -41.64 23.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.442 ' CB ' ' HD3' ' A' ' 51' ' ' ARG . 76.8 m-20 -45.01 -41.12 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CD2' HD22 ' A' ' 104' ' ' LEU . 41.7 m-85 -62.31 -41.22 98.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -55.54 -24.94 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -79.68 -45.17 19.48 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.692 HD11 HD11 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -65.77 -54.94 20.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.409 ' CG ' HG11 ' A' ' 71' ' ' VAL . 2.5 tttm -41.74 -51.43 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' GLU . 51.0 t30 -60.32 -49.18 78.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.91 -24.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.899 HD13 HD11 ' A' ' 111' ' ' ILE . 9.9 mt -90.3 -32.2 16.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 61' ' ' ASN . 3.1 mm-40 -87.08 43.18 1.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -67.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t70 171.45 63.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 m -135.29 26.32 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.51 20.97 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.528 HG12 HD12 ' A' ' 116' ' ' LEU . 4.8 mt -80.45 136.11 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.0 t -102.81 114.72 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.3 t -107.4 138.11 19.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.99 162.41 37.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.18 31.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 18.7 mt -78.9 144.87 64.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 97.66 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.47 1.774 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 153.27 143.32 3.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.33 162.08 16.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.747 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -172.59 135.59 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.89 157.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.34 108.38 18.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.94 93.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 65.18 115.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.96 153.85 80.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 86' ' ' ARG . 18.3 Cg_endo -75.01 90.4 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 57.09 -85.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 84' ' ' PRO . 5.8 mmt180 -98.91 -81.42 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.74 -149.67 10.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.5 113.35 24.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.39 74.67 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 98.31 128.37 6.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.514 HD13 ' CE2' ' A' ' 96' ' ' PHE . 2.2 pp -140.27 108.99 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -170.53 96.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -141.51 150.65 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.25 -54.21 7.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.32 -51.8 24.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.514 ' CE2' HD13 ' A' ' 91' ' ' ILE . 1.5 t80 -52.11 -54.68 27.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.9 mt -58.13 -61.08 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -53.57 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.27 -58.42 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' HD3' ' CG ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -63.84 -49.95 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -41.83 -69.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -59.15 -46.82 87.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -44.81 -68.16 0.99 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 111.006 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.558 HD22 ' CD2' ' A' ' 56' ' ' PHE . 43.8 mt -48.33 -46.66 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.41 -55.74 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -45.85 84.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.558 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.0 t80 -54.62 -59.56 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.779 HD12 HG21 ' A' ' 111' ' ' ILE . 4.3 tp -61.99 -41.54 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.92 -42.61 37.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -40.52 19.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.899 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -55.33 -50.59 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.703 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -52.84 -49.65 65.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -48.96 -22.19 2.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 115' ' ' PRO . 7.9 t-80 -69.89 135.06 87.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.4 Cg_endo -74.97 -53.67 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.528 HD12 HG12 ' A' ' 69' ' ' ILE . 8.3 mt -47.45 -40.9 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.31 59.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.51 ' O ' HD12 ' A' ' 41' ' ' ILE . 50.9 mt-30 -52.38 -27.27 15.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -35.45 18.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -56.42 145.39 27.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -85.17 -32.03 22.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 123' ' ' LEU . 22.5 p -54.13 -43.19 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.42 ' N ' ' SG ' ' A' ' 122' ' ' CYS . 7.8 tp -65.4 -61.61 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -41.74 -54.86 3.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.577 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.7 OUTLIER -52.62 -53.02 52.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.057 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.577 ' CG ' HD22 ' A' ' 59' ' ' LEU . 28.8 t80 -44.16 -26.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.546 HD13 ' SD ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -114.04 160.15 19.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 72.25 -56.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -72.53 118.35 15.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -46.39 -59.26 3.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -116.07 171.21 7.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.577 HG23 ' SD ' ' A' ' 125' ' ' MET . 33.8 mt -108.99 146.71 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' ARG . 0.9 OUTLIER -107.13 81.75 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 133' ' ' ASP . 5.8 mtm180 -38.3 138.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 61.06 61.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -89.81 175.19 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.7 t -101.65 113.11 65.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 119.47 5.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -109.0 -147.93 12.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.76 114.76 15.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -58.91 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -165.34 -145.31 4.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 155.27 43.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 78.8 p -129.65 142.12 50.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.0 p -131.06 107.05 8.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.43 102.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -175.64 154.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.38 136.77 2.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.61 110.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -145.88 159.89 42.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.12 92.1 0.09 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.68 163.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.761 ' HB3' HD21 ' A' ' 39' ' ' LEU . 5.0 m120 -114.64 163.41 15.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.2 p90 -158.14 125.12 4.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.785 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.5 tp -127.62 109.03 11.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -134.0 161.03 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.2 mt -136.38 151.96 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.13 146.18 47.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.412 ' N ' ' HG3' ' A' ' 105' ' ' GLU . 1.7 mt -138.43 101.48 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -151.98 -173.88 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t30 70.3 65.48 0.45 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 103.06 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -113.65 138.32 50.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.0 m -120.69 135.49 55.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.598 ' CG1' ' CE2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -112.25 163.91 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.507 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -95.44 142.21 15.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' ARG . 3.4 t -151.56 159.59 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.41 0.712 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.17 86.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER 42.5 54.31 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.87 32.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.12 166.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.598 ' CE2' ' CG1' ' A' ' 21' ' ' VAL . 2.9 p90 -157.4 172.77 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -140.36 150.97 44.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.546 HG22 ' HG2' ' A' ' 52' ' ' ARG . 1.1 p -143.59 129.05 19.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.415 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -93.04 150.57 20.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.78 115.94 17.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 t -97.38 115.68 37.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.77 100.99 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.722 ' SD ' HD13 ' A' ' 127' ' ' LEU . 5.0 ttp -97.38 143.89 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.0 OUTLIER -139.16 144.27 38.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.638 ' HB ' HD12 ' A' ' 11' ' ' LEU . 3.3 t -173.69 161.9 3.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -123.3 14.22 9.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.761 HD21 ' HB3' ' A' ' 9' ' ' ASN . 22.8 mt -81.34 154.74 71.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.04 -37.63 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.754 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.4 pt -38.17 -44.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.754 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.7 m-85 -83.16 135.23 34.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -74.76 -47.71 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mt -95.01 139.53 31.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -79.91 -27.79 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -161.45 142.29 11.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.23 170.7 21.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.509 ' O ' HG13 ' A' ' 49' ' ' VAL . 18.9 p -128.26 132.41 48.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 48' ' ' CYS . 28.8 m -156.23 168.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -129.27 144.58 51.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.661 ' HE ' HD11 ' A' ' 132' ' ' ILE . 42.3 mmt-85 -139.89 168.07 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.546 ' HG2' HG22 ' A' ' 30' ' ' THR . 14.4 mtm105 -120.37 157.52 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -49.2 -26.65 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.76 -47.39 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.58 -46.65 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.599 ' CG ' HD22 ' A' ' 104' ' ' LEU . 29.6 m-85 -55.25 -40.95 71.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -59.92 -39.49 85.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.451 ' C ' ' CE3' ' A' ' 58' ' ' TRP . 5.0 t90 -70.48 -24.81 62.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 107.955 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -80.03 -57.02 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 63' ' ' LEU . 21.6 tttm -50.73 -62.56 1.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -47.58 -37.81 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.39 -33.83 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.341 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.953 HD13 HD11 ' A' ' 111' ' ' ILE . 1.3 mt -85.88 -13.06 49.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.65 50.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -94.57 -67.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 3.3 t0 163.1 76.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 m -146.47 33.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt 51.17 23.1 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.469 HG12 ' CB ' ' A' ' 116' ' ' LEU . 5.3 mt -84.5 132.89 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.7 t -103.89 101.57 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.468 HG21 ' HB2' ' A' ' 63' ' ' LEU . 6.0 t -90.99 137.56 26.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -74.98 158.82 42.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.8 39.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 56' ' ' PHE . 17.8 mt -88.29 146.94 39.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.18 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.81 99.04 0.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.581 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -91.05 140.09 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 77' ' ' LYS . . . 170.36 148.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.8 87.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.54 149.69 11.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.82 109.87 4.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -166.26 112.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.77 150.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.3 2.93 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.462 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -49.64 142.04 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.049 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -71.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.64 165.49 27.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 2.6 t0 -107.3 -21.01 13.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 88' ' ' ASP . 7.3 mt-10 -161.46 128.61 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.64 -130.22 6.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.14 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.47 77.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.35 -52.42 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.86 126.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.08 -52.27 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -49.99 -58.18 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -46.46 -51.54 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.26 -60.05 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -51.9 60.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.77 -59.6 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -60.48 -52.56 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -63.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.64 -45.94 81.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.06 -64.1 3.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.599 HD22 ' CG ' ' A' ' 56' ' ' PHE . 79.8 mt -47.31 -56.87 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 1.4 tt0 -44.55 -42.77 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -54.74 18.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.6 t80 -43.24 -58.7 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.722 HD12 HG21 ' A' ' 111' ' ' ILE . 4.1 tp -61.86 -49.14 85.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' CG2' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -43.09 -35.28 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -91.11 -43.89 9.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.953 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -54.14 -43.77 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.785 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -61.18 -44.57 97.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.89 -33.43 50.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.52 132.76 77.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.591 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -45.44 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.523 1.802 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.469 ' CB ' HG12 ' A' ' 69' ' ' ILE . 8.5 mt -57.41 -31.75 66.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.2 -44.91 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 41' ' ' ILE . 68.5 mt-30 -53.11 -25.65 13.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.57 -33.07 17.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -57.7 136.46 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -21.45 29.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 17.5 p -65.82 -40.81 92.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.95 -61.42 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 125' ' ' MET . 28.8 m80 -39.57 -58.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 124' ' ' HIS . 1.0 OUTLIER -37.45 -58.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.609 ' HA ' HD11 ' A' ' 132' ' ' ILE . 26.4 t80 -38.13 -34.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.722 HD13 ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -112.45 164.46 13.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 71.41 -56.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.352 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 126.6 28.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.34 -51.98 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -134.66 -175.56 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.661 HD11 ' HE ' ' A' ' 51' ' ' ARG . 16.3 mm -95.08 110.4 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -84.69 113.01 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -89.47 38.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -147.85 23.68 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -173.0 4.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 53.4 t -128.55 121.08 21.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 151.04 39.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.75 127.41 0.29 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.68 92.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.8 m -40.01 151.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -177.0 99.51 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 101.71 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.5 p -67.76 112.8 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.42 84.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 63.82 168.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.739 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.96 143.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.73 101.88 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -147.72 133.49 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -143.23 160.22 40.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.0 -150.11 21.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.123 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 156.23 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.97 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -81.96 155.87 25.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 41.5 p90 -150.71 129.62 12.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.558 1.161 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.666 HD12 ' HB ' ' A' ' 37' ' ' THR . 2.8 tp -127.78 108.68 10.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.7 164.17 27.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -137.27 158.24 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -133.9 142.46 47.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mt -139.29 99.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -152.39 -174.24 4.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 7.3 t30 69.88 64.16 0.5 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.3 Cg_endo -74.98 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.66 131.55 55.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 m -92.28 146.64 23.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.408 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.703 HG13 ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -129.88 164.0 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.498 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -86.91 145.23 19.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 24' ' ' GLY . 46.8 t -143.88 161.55 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 23' ' ' VAL . . . -42.04 -60.42 2.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -162.68 45.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -164.57 59.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mtm-85 -45.47 161.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.703 ' CE1' HG13 ' A' ' 21' ' ' VAL . 4.1 p90 -165.33 174.71 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 30' ' ' THR . 5.5 m -126.66 165.55 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.521 HG23 ' CE2' ' A' ' 28' ' ' PHE . 1.4 p -123.46 -177.19 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -150.56 142.13 23.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.96 94.52 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 45.2 t -77.65 91.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -109.96 128.85 55.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.703 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.1 tmm? -117.98 153.44 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 7.4 ptm180 -139.65 120.03 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.666 ' HB ' HD12 ' A' ' 11' ' ' LEU . 7.0 t -148.5 165.68 30.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -129.38 12.22 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.0 mt -82.93 154.69 67.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -37.3 2.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.857 HD12 ' O ' ' A' ' 118' ' ' GLN . 7.8 pt -38.91 -44.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' A' ' 41' ' ' ILE . 78.4 m-85 -82.41 129.09 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -47.87 55.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mt -92.25 149.61 21.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -90.02 -39.85 12.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.09 134.81 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -156.76 168.32 27.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.9 p -136.21 153.37 51.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 108.289 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.646 HG11 ' O ' ' A' ' 127' ' ' LEU . 31.9 m -152.3 164.77 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.455 ' CD ' HG21 ' A' ' 30' ' ' THR . 15.2 ttt180 -115.35 115.96 27.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' NE ' ' OD2' ' A' ' 55' ' ' ASP . 21.1 mmm180 -147.44 161.83 40.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -102.23 179.16 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.96 -38.89 92.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -36.61 47.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' CG ' ' CE1' ' A' ' 126' ' ' PHE . 42.1 t0 -49.45 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.856 ' CG ' HD22 ' A' ' 104' ' ' LEU . 89.1 m-85 -37.98 -50.65 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.65 -49.13 38.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 75.3 t90 -58.79 -55.77 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -51.94 -52.49 49.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.615 ' HD3' HD12 ' A' ' 74' ' ' LEU . 8.4 tttm -49.45 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 64' ' ' GLU . 6.0 t-20 -45.95 -47.83 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -40.96 -30.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.503 ' CD1' HD11 ' A' ' 111' ' ' ILE . 33.0 mt -81.2 -48.03 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.2 mt-10 -61.83 -35.84 79.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -56.94 1.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 67' ' ' SER . 27.4 t70 -156.16 101.34 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER 159.64 132.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 46.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 114' ' ' HIS . 9.6 mt -96.75 146.35 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -94.33 100.97 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 20.5 t -90.64 137.46 27.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.04 162.57 36.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.96 29.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.615 HD12 ' HD3' ' A' ' 60' ' ' LYS . 11.4 mt -93.55 148.8 36.14 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.4 Cg_endo -75.0 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.36 92.37 2.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.64 -172.28 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 41.29 83.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.31 77.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 179.92 4.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 57.13 166.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 67.77 120.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -83.31 158.57 63.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 68.0 5.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -161.23 140.94 10.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.53 139.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.02 -148.07 17.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.87 105.91 18.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -95.98 88.25 4.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.77 153.27 6.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.492 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 1.1 pp -140.76 107.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 91' ' ' ILE . 10.7 m-85 -159.57 71.37 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -129.73 125.5 36.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -41.68 -52.16 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -52.2 65.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -49.75 -53.58 24.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.7 mt -54.94 -63.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -42.9 -54.04 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.69 -58.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -65.72 -48.3 72.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -40.86 -66.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.45 -47.63 81.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.16 -57.28 2.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.856 HD22 ' CG ' ' A' ' 56' ' ' PHE . 20.9 mt -56.78 -60.68 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.8 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.08 -47.77 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.51 -49.82 76.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.565 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.0 t80 -56.62 -57.54 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.521 HD12 HG21 ' A' ' 111' ' ' ILE . 9.4 tp -59.29 -37.21 67.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' A' ' 112' ' ' ALA . 0.6 OUTLIER -52.6 -59.53 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -62.26 -50.95 69.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.521 HG21 HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -51.0 -37.01 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -60.72 -60.51 3.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.28 -35.62 1.88 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.574 ' CE1' HG23 ' A' ' 69' ' ' ILE . 5.5 t-80 -46.5 131.65 8.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.39 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.1 mt -62.09 -33.74 75.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' ' 114' ' ' HIS . . . -76.76 -45.52 28.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.857 ' O ' HD12 ' A' ' 41' ' ' ILE . 39.0 mt-30 -46.68 -24.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.21 -42.19 11.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -46.87 136.05 8.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.79 -27.06 22.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 30.1 p -60.09 -20.7 59.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.334 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.99 -54.73 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.687 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 94.8 m-70 -56.79 -52.66 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.405 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.4 OUTLIER -47.06 -42.42 18.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.534 ' CD2' HD22 ' A' ' 59' ' ' LEU . 18.0 t80 -69.21 -21.92 63.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.646 ' O ' HG11 ' A' ' 49' ' ' VAL . 58.9 mt -95.54 -92.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 127' ' ' LEU . 80.5 mt-30 -37.43 -68.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.24 146.16 44.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -87.51 -67.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.07 124.79 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 126' ' ' PHE . 10.2 mt -84.11 159.27 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.43 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 21.2 t0 -124.7 128.86 49.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.441 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -91.85 28.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -153.8 24.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.0 -172.5 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 80.2 t -112.5 114.89 49.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 176.72 9.53 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.464 1.77 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -123.49 117.84 3.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.123 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.99 -70.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.5 137.71 44.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -104.3 157.91 16.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 62.9 5.98 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.74 143.7 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.11 126.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -167.99 164.3 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.002 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.9 p -169.95 124.14 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.75 116.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.78 102.94 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.984 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -177.27 90.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.13 -171.9 40.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.51 168.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.77 ' HB2' HD21 ' A' ' 39' ' ' LEU . 6.9 p30 -102.65 148.68 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 16.7 p90 -145.87 128.38 16.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.529 HD21 ' HB1' ' A' ' 112' ' ' ALA . 9.5 tp -126.89 105.07 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -131.18 163.5 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.75 139.7 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -109.75 140.47 43.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.5 HD13 HG22 ' A' ' 33' ' ' VAL . 1.4 mm -127.77 99.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 17' ' ' ASN . 47.5 p90 -152.73 -174.71 5.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 7.8 t-20 69.17 64.63 0.54 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.05 143.57 29.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -147.96 119.2 7.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.42 HG23 ' HD3' ' A' ' 27' ' ' ARG . 49.2 m -76.36 148.04 37.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.689 HG13 ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -141.75 163.36 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 49.74 178.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.5 p -159.7 144.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.3 46.73 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 60.64 157.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 42.79 50.57 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' HD3' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -73.0 -177.87 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.689 ' CE1' HG13 ' A' ' 21' ' ' VAL . 3.0 p90 -140.49 174.5 10.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -140.06 165.9 26.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.459 HG23 ' CE2' ' A' ' 28' ' ' PHE . 6.1 p -126.43 141.83 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.451 ' CD2' ' HG3' ' A' ' 101' ' ' ARG . 60.8 m-85 -115.76 155.74 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.49 106.32 17.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.5 HG22 HD13 ' A' ' 15' ' ' ILE . 35.0 t -84.09 92.61 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -98.71 101.87 13.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.6 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.9 ttp -96.45 143.33 27.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.4 OUTLIER -139.33 146.39 40.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.591 HG21 ' CD1' ' A' ' 42' ' ' PHE . 4.9 t -173.59 165.53 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -123.61 15.33 9.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.77 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.1 mt -82.16 153.9 69.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -37.75 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.761 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.76 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.4 pt -38.2 -45.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.76 ' CE1' HD11 ' A' ' 41' ' ' ILE . 83.1 m-85 -82.39 136.37 34.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -76.25 -45.97 30.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -97.65 149.05 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -82.97 -36.02 25.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -151.49 143.42 23.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 p -154.87 142.95 20.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.0 m -110.41 119.58 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.3 m -133.02 -177.2 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -131.62 119.02 20.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.525 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -131.5 126.56 35.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -79.5 179.69 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -74.5 -32.5 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -67.53 -37.2 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.442 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 37.4 m-20 -54.13 -52.33 61.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.697 ' CD2' HD22 ' A' ' 104' ' ' LEU . 27.0 m-85 -50.94 -45.49 60.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.93 -30.2 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.477 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 24.0 t90 -82.09 -42.85 18.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.523 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -59.95 -55.3 35.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -46.34 -64.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 64' ' ' GLU . 8.0 t30 -47.46 -48.52 26.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -43.71 -45.49 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.533 ' CD1' HD11 ' A' ' 111' ' ' ILE . 51.4 mt -64.44 -38.2 90.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' ASN . 28.7 mm-40 -84.32 40.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -61.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -147.04 73.21 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.9 t -179.02 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER 69.91 17.53 7.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LYS . 5.5 mt -39.03 154.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.0 t -81.57 103.19 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 16.7 t -108.8 138.1 20.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.525 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.08 161.79 37.98 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.13 33.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 56' ' ' PHE . 17.2 mt -87.31 148.46 44.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 114.09 3.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.27 158.77 8.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.87 108.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.94 122.7 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.246 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tp -139.42 90.12 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt 65.34 115.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.44 136.09 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.31 -64.1 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.3 mt -108.16 153.46 41.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.56 7.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 50.62 177.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 60.04 105.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 154.11 -69.39 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.44 126.89 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.34 -60.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.03 91.5 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.934 HG23 ' CE2' ' A' ' 96' ' ' PHE . 17.6 mm -81.95 53.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 4.7 p90 -165.45 48.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.76 177.08 4.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -82.25 -31.51 30.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -25.29 65.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.934 ' CE2' HG23 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -73.48 -57.89 3.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.91 -42.11 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -56.17 24.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -59.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -52.05 67.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.451 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 18.6 ttp180 -40.5 -68.49 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -52.59 -53.57 44.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.78 -69.78 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.697 HD22 ' CD2' ' A' ' 56' ' ' PHE . 83.8 mt -47.47 -59.57 3.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.475 ' HG3' ' CG1' ' A' ' 15' ' ' ILE . 6.5 tt0 -42.03 -51.1 4.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -53.75 54.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.9 t80 -51.47 -59.45 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.645 HD12 HG21 ' A' ' 111' ' ' ILE . 5.4 tp -58.84 -40.18 79.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.81 -48.1 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -38.45 55.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.645 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -57.56 -51.84 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.529 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -53.47 -59.54 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.97 -37.28 0.97 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 115' ' ' PRO . 5.5 t-80 -52.19 132.3 41.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.747 . . . . 0.0 109.576 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.3 Cg_endo -75.03 -48.9 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 116' ' ' LEU . 7.0 mt -52.38 -37.84 57.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.422 ' HB1' HD22 ' A' ' 123' ' ' LEU . . . -71.32 -49.3 43.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.691 ' O ' HD12 ' A' ' 41' ' ' ILE . 59.9 mt-30 -47.97 -24.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.21 -34.94 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 56.7 mm-40 -54.07 140.29 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -85.09 -40.16 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 7.6 p -47.94 -46.12 31.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 108.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.422 HD22 ' HB1' ' A' ' 117' ' ' ALA . 6.5 tp -59.87 -57.2 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 127' ' ' LEU . 6.1 m80 -41.87 -41.11 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.502 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.7 OUTLIER -61.33 -58.43 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.525 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 11.2 t80 -37.19 -32.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.6 HD13 ' SD ' ' A' ' 35' ' ' MET . 4.8 mt -111.87 163.12 14.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 70.79 -57.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.84 151.01 47.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.407 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 11.8 tp10 -86.55 -69.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -103.89 129.05 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.816 HG22 ' H ' ' A' ' 134' ' ' ARG . 59.2 mt -69.21 131.52 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 135' ' ' ASN . 12.2 m-20 -91.74 29.22 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.816 ' H ' HG22 ' A' ' 132' ' ' ILE . 13.9 mtt180 35.76 -95.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.5 t30 -84.06 48.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -47.36 169.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.7 t -109.56 116.05 55.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.38 33.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -129.3 -138.2 4.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -107.54 -62.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.21 -61.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 170.54 -164.86 38.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -78.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.7 p -39.42 -58.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 p -173.2 159.85 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -178.68 163.62 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.43 68.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -155.64 123.6 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 110.038 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.1 141.77 3.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.045 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.17 -92.76 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.2 m -143.99 154.07 42.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.454 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.1 m120 -80.19 162.59 24.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 17.5 p90 -156.19 124.83 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.617 HD21 ' HB1' ' A' ' 112' ' ' ALA . 7.0 tp -124.1 106.02 10.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -132.11 163.31 28.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.472 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.48 154.67 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -125.57 140.29 52.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mt -130.75 102.21 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -151.65 -174.97 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t30 62.66 69.08 0.93 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.373 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 131.77 14.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -132.18 124.22 28.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.4 m -84.26 144.31 28.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.553 HG13 ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -140.61 163.83 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 58.1 155.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.132 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.9 t -135.72 142.41 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.57 -91.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.435 ' O ' ' NH2' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -143.78 -62.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.72 51.28 0.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -48.39 173.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.553 ' CE1' HG13 ' A' ' 21' ' ' VAL . 4.0 p90 -133.32 174.19 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 30' ' ' THR . 1.2 m -140.56 166.51 24.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.51 HG22 ' HG2' ' A' ' 52' ' ' ARG . 4.2 p -123.64 -177.1 3.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -150.88 163.89 37.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.32 94.17 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG21 ' HB2' ' A' ' 51' ' ' ARG . 45.0 t -80.59 94.68 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -102.19 100.74 10.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.352 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.483 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.1 ttp -93.6 143.82 25.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.457 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.4 ttt180 -138.25 141.5 39.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.606 ' HB ' HD12 ' A' ' 11' ' ' LEU . 5.1 t -168.99 171.68 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -131.35 12.69 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 9' ' ' ASN . 25.4 mt -79.04 153.79 77.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -74.98 -37.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.768 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.4 pt -37.94 -44.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 41' ' ' ILE . 80.7 m-85 -83.04 139.02 33.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -78.0 -51.66 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.7 mt -93.81 137.09 33.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -67.16 -45.17 77.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.23 143.44 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.93 169.15 23.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.1 p -120.81 128.6 53.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.1 m -136.57 -176.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -134.78 110.19 9.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HB2' HG21 ' A' ' 33' ' ' VAL . 14.8 mmp_? -113.09 147.95 36.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.51 ' HG2' HG22 ' A' ' 30' ' ' THR . 0.9 OUTLIER -114.7 152.31 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -42.56 -35.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 m -68.8 -50.15 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -44.18 -55.43 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.636 ' CD2' HD22 ' A' ' 104' ' ' LEU . 57.7 m-85 -47.2 -47.28 24.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.92 -46.69 71.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.517 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 38.1 t90 -63.1 -32.76 74.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.77 HD11 HD11 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -70.85 -56.43 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.525 ' HA ' HD12 ' A' ' 63' ' ' LEU . 10.6 tttm -44.62 -65.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' GLU . 1.3 t-20 -50.74 -53.05 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.517 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 15.5 mm-40 -43.85 -31.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.816 HD13 HD11 ' A' ' 111' ' ' ILE . 6.6 mt -80.92 -43.15 20.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' ASN . 1.9 mt-10 -60.56 -15.9 32.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -74.68 -38.89 62.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.73 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.87 67.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt 40.42 35.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.411 HG23 ' CE1' ' A' ' 114' ' ' HIS . 5.6 mt -40.91 152.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.406 ' HB ' ' NE2' ' A' ' 114' ' ' HIS . 70.4 t -81.93 101.2 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.447 ' CG1' ' HD2' ' A' ' 72' ' ' PRO . 39.5 t -111.71 140.4 23.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.0 166.15 29.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.792 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.25 31.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.48 149.25 42.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 106.33 2.25 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -150.45 84.3 0.16 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 116.01 29.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -124.99 106.2 9.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.37 -177.0 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.59 114.96 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.67 153.73 22.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -127.49 52.65 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -93.92 154.3 40.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 139.14 23.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.63 147.46 6.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -172.12 -54.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.19 -142.31 6.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.08 105.56 11.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -83.61 73.79 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -105.95 -137.17 8.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.2 pp -138.0 105.18 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 0.802 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -163.07 55.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -128.52 137.48 51.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -41.47 -60.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -54.45 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -57.5 -47.98 80.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.1 mt -57.91 -60.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -46.44 -53.89 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -63.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -54.13 -55.33 28.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -42.24 -65.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -54.44 -50.88 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -41.95 -69.57 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.636 HD22 ' CD2' ' A' ' 56' ' ' PHE . 34.0 mt -48.01 -51.65 23.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -49.07 -55.19 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -47.93 83.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 12.9 t80 -52.6 -59.54 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.722 HD12 HG21 ' A' ' 111' ' ' ILE . 4.1 tp -61.2 -40.16 84.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -42.07 61.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -37.95 21.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.816 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -58.15 -51.83 66.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.617 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -48.3 -56.8 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.7 -32.06 0.82 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.411 ' CE1' HG23 ' A' ' 69' ' ' ILE . 8.3 t-80 -56.96 132.12 79.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 109.598 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.2 Cg_endo -74.99 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.9 mt -51.21 -40.61 59.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.9 69.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.231 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.692 ' O ' HD12 ' A' ' 41' ' ' ILE . 53.6 mt-30 -52.37 -21.22 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -92.97 -42.99 9.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -46.01 146.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -34.22 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 11.5 p -53.04 -35.59 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.7 tp -73.82 -56.58 4.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 127' ' ' LEU . 4.9 m80 -40.74 -48.08 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -52.5 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.511 ' HA ' HD11 ' A' ' 132' ' ' ILE . 13.4 t80 -38.16 -34.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.483 HD13 ' SD ' ' A' ' 35' ' ' MET . 3.4 mt -113.88 158.46 21.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 76.51 -55.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.24 150.15 38.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -79.88 -70.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.231 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.06 133.28 45.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 126' ' ' PHE . 49.0 mt -77.65 163.95 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.487 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 1.1 m-20 -127.97 114.34 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.452 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -82.64 49.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -176.71 42.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.426 ' C ' ' CD1' ' A' ' 136' ' ' TYR . 9.1 p90 -82.42 175.6 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.32 116.74 59.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -168.68 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -98.33 129.47 9.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.84 163.49 39.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.4 p -88.37 87.14 7.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 89.69 114.98 1.52 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.3 13.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 16.3 p -163.52 -59.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.07 -59.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.86 119.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.015 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -158.85 165.84 33.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.71 102.27 0.77 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.6 131.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 0.733 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 p -154.1 164.21 38.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.68 -126.16 1.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.84 152.9 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.585 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.3 m120 -62.04 150.45 38.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 21.9 p90 -147.17 124.83 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.804 HD21 ' HB1' ' A' ' 112' ' ' ALA . 3.8 tp -121.61 108.81 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -132.63 162.08 32.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.478 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.59 149.88 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.7 131.2 53.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.7 99.55 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -152.52 -174.96 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 69.33 66.67 0.47 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 131.97 14.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -135.65 116.48 14.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.8 m -86.27 154.92 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.377 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -112.06 161.91 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.473 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -50.32 160.82 1.23 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.406 ' H ' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -43.15 164.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 0.77 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.27 44.13 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 60.75 120.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' ARG . . . 44.51 58.6 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.9 ptp180 -37.54 155.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.557 ' CE1' HG11 ' A' ' 21' ' ' VAL . 6.8 p90 -139.27 174.45 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 30' ' ' THR . 8.3 m -141.33 167.19 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.611 HG21 ' HD2' ' A' ' 50' ' ' ARG . 60.3 p -127.57 -175.29 3.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -149.52 153.77 37.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.12 99.82 7.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.47 HG21 ' HB2' ' A' ' 51' ' ' ARG . 45.2 t -80.95 98.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -108.55 99.9 9.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.572 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.1 ttp -93.15 143.73 25.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -134.17 140.06 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.556 ' HB ' HD12 ' A' ' 11' ' ' LEU . 3.6 t -169.64 163.04 10.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -127.33 17.13 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 9' ' ' ASN . 22.8 mt -83.8 155.76 64.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.5 Cg_endo -74.96 -38.56 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.801 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.9 pt -38.59 -44.77 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.801 ' CE1' HD11 ' A' ' 41' ' ' ILE . 84.4 m-85 -84.87 137.77 32.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -82.68 -45.44 14.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.763 HD12 ' HB3' ' A' ' 128' ' ' GLN . 15.2 mt -92.37 143.52 26.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -81.99 -42.39 19.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 1.6 tm-20 -151.32 141.75 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.88 169.62 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.471 ' O ' HG13 ' A' ' 49' ' ' VAL . 29.6 p -136.54 146.46 46.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 108.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 48' ' ' CYS . 35.6 m -156.31 -179.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.611 ' HD2' HG21 ' A' ' 30' ' ' THR . 3.2 ttt180 -109.79 116.88 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB2' HG21 ' A' ' 33' ' ' VAL . 14.4 mmp_? -129.81 141.89 50.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' NH2' ' OD2' ' A' ' 55' ' ' ASP . 7.9 mtm180 -110.9 156.18 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.422 ' HD1' HD21 ' A' ' 104' ' ' LEU . 30.1 t80 -51.0 -27.15 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 t -74.65 -46.76 35.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' OD2' ' NH2' ' A' ' 52' ' ' ARG . 89.6 m-20 -48.29 -48.25 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -53.71 -49.33 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -49.12 -49.73 40.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.595 ' CZ3' ' SG ' ' A' ' 122' ' ' CYS . 30.9 t90 -55.23 -53.45 55.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.046 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.563 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -56.77 -53.51 56.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -46.06 -58.08 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' GLU . 17.7 t30 -50.76 -53.44 31.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -45.88 -31.57 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.7 HD13 HD11 ' A' ' 111' ' ' ILE . 46.1 mt -81.57 -36.19 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.4 mt-10 -83.45 45.44 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.57 -66.83 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t70 176.62 87.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.418 ' CB ' HG13 ' A' ' 69' ' ' ILE . 20.9 t -159.81 27.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt 46.86 25.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.418 HG13 ' CB ' ' A' ' 67' ' ' SER . 10.0 mt -83.1 134.79 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -100.51 101.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.516 HG13 ' HD2' ' A' ' 72' ' ' PRO . 59.4 t -96.14 140.66 22.35 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.516 ' HD2' HG13 ' A' ' 71' ' ' VAL . 18.3 Cg_endo -75.05 158.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.61 30.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 14.9 mt -86.77 142.35 34.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -75.02 86.79 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 77' ' ' LYS . . . -131.13 -94.37 0.65 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 76' ' ' GLY . 0.4 OUTLIER 85.87 -64.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 109.244 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.46 127.5 39.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.63 175.07 9.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.94 75.75 3.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.96 158.11 37.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -177.84 134.84 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 142.2 28.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 111.96 3.45 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.786 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 40.7 t80 179.47 121.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.65 164.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.73 116.62 1.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -174.03 136.96 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -122.04 -60.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.81 -126.76 1.78 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.507 HD13 ' CZ ' ' A' ' 96' ' ' PHE . 1.3 pp -139.45 108.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.459 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 27.2 p90 -143.07 62.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -121.97 145.16 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -56.33 -51.34 68.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -47.58 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -59.06 -51.86 68.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 53.3 mt -49.56 -48.98 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.09 -60.4 3.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -42.0 -56.23 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -63.4 -55.2 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.268 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.0 ttp-105 -48.13 -67.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.12 -46.96 86.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . -45.14 -53.41 7.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.422 HD21 ' HD1' ' A' ' 53' ' ' TYR . 20.6 mt -58.84 -54.24 49.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.407 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.7 OUTLIER -45.02 -43.25 9.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -53.58 46.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.489 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -50.24 -55.08 16.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.747 HD12 HG21 ' A' ' 111' ' ' ILE . 5.0 tp -62.7 -43.07 98.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -47.78 -40.33 20.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -85.74 -42.53 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -54.1 -46.59 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.804 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.12 -62.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.76 -34.0 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . 6.2 t-80 -55.71 126.84 65.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.618 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -43.53 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.4 mt -58.59 -27.94 65.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 114' ' ' HIS . . . -83.47 -44.45 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.577 ' O ' HD12 ' A' ' 41' ' ' ILE . 48.9 mt-30 -51.3 -23.05 3.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -89.41 -35.2 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.468 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 65.2 mm-40 -53.57 135.77 39.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -74.56 -40.38 61.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.595 ' SG ' ' CZ3' ' A' ' 58' ' ' TRP . 53.5 t -45.25 -52.73 9.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.13 -55.19 38.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' LEU . 12.7 m-70 -45.45 -49.05 13.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.625 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' LEU . 1.4 ttm -63.0 -57.61 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.877 ' HA ' HD11 ' A' ' 132' ' ' ILE . 26.9 t80 -37.84 -30.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.572 HD13 ' SD ' ' A' ' 35' ' ' MET . 2.7 mt -112.26 153.99 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.763 ' HB3' HD12 ' A' ' 44' ' ' LEU . 54.6 mt-30 75.22 -55.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.19 144.77 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -83.62 -68.97 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.352 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.43 133.21 35.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.877 HD11 ' HA ' ' A' ' 126' ' ' PHE . 30.1 mt -98.4 150.73 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -113.07 112.94 24.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -76.7 54.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -179.4 43.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 136' ' ' TYR . 3.5 p90 -91.28 169.22 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 75.9 t -122.41 128.3 25.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.18 42.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.441 1.758 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -81.78 110.51 3.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 125.66 24.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.2 p 56.62 85.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -86.54 129.26 9.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 117.41 4.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.464 1.771 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 t -110.58 143.29 41.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.8 m -81.28 114.73 20.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.442 1.088 . . . . 0.0 110.983 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -162.94 140.36 7.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.994 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.15 172.75 6.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.36 90.91 0.35 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.47 167.2 31.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -170.23 142.58 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.01 -142.68 36.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.42 111.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.09 138.32 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 5.7 p90 -150.3 124.21 9.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.617 HD12 ' HB ' ' A' ' 37' ' ' THR . 7.0 tp -121.26 102.69 8.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -135.08 160.08 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.652 HD13 ' CG1' ' A' ' 108' ' ' ILE . 2.8 mp -126.08 153.4 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -118.2 140.08 50.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mm -128.3 99.22 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -153.1 -174.35 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 68.85 64.22 0.57 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.4 Cg_endo -74.98 92.36 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -96.02 143.38 27.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 28' ' ' PHE . 11.5 m -132.78 123.05 25.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.699 HG13 ' CE2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -108.87 162.9 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.493 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -82.76 125.07 6.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.46 ' CG2' ' C ' ' A' ' 22' ' ' GLY . 2.9 t -152.7 155.1 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 23' ' ' VAL . . . 35.29 -106.1 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.75 -47.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' ARG . . . -87.83 13.8 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER 34.89 -152.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.244 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.699 ' CE2' HG13 ' A' ' 21' ' ' VAL . 3.5 p90 -166.54 172.95 10.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.5 m -140.48 150.98 44.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.526 HG21 ' HG3' ' A' ' 50' ' ' ARG . 1.1 p -145.47 138.95 26.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.541 ' CE1' ' HG3' ' A' ' 101' ' ' ARG . 92.8 m-85 -99.49 147.04 25.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.39 97.3 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.68 91.39 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -106.48 122.34 46.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.588 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.7 tmm? -107.65 153.0 23.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -142.58 110.37 5.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.617 ' HB ' HD12 ' A' ' 11' ' ' LEU . 13.0 t -133.98 172.73 12.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -136.81 16.16 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.09 157.02 46.11 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -74.98 -37.97 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.769 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.7 pt -38.44 -44.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.769 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.8 m-85 -84.33 127.43 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -73.65 -44.47 56.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -92.0 139.45 30.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -75.94 -33.18 59.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -168.0 143.04 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.2 171.04 19.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.4 m -131.46 144.73 51.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.693 HG11 ' O ' ' A' ' 127' ' ' LEU . 15.6 m -146.09 164.06 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.526 ' HG3' HG21 ' A' ' 30' ' ' THR . 6.1 ttp180 -106.18 110.74 23.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.625 ' NH2' HD12 ' A' ' 132' ' ' ILE . 27.4 mmm180 -148.81 135.62 19.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.452 ' HG3' HG22 ' A' ' 30' ' ' THR . 5.1 mtm180 -89.14 -179.55 5.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 1.5 t80 -62.02 -36.93 83.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -41.93 78.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.6 ' OD2' ' CE1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -48.9 -59.56 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' CG ' HD22 ' A' ' 104' ' ' LEU . 62.6 m-85 -42.19 -46.79 4.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -42.7 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.475 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 25.8 t90 -65.61 -44.35 86.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 108.004 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.777 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -58.63 -51.58 69.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HG3' HG11 ' A' ' 71' ' ' VAL . 2.4 tttm -49.92 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' GLU . 8.3 t30 -46.51 -51.41 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.475 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 5.6 mm-40 -41.17 -29.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 111' ' ' ILE . 29.1 mt -82.78 -46.48 13.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.5 mt-10 -63.98 -36.19 83.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.351 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.07 -67.55 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -137.43 87.18 2.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER 164.05 128.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -86.93 45.48 1.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.563 HG23 ' CE1' ' A' ' 114' ' ' HIS . 7.9 mt -88.67 147.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.2 t -90.33 100.52 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.445 HG11 ' HG3' ' A' ' 60' ' ' LYS . 7.1 t -93.27 134.86 26.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.94 163.3 35.71 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.18 32.26 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.464 1.77 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 56' ' ' PHE . 16.1 mt -93.43 151.64 40.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.83 2.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.48 101.03 0.24 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.01 -67.11 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.7 112.98 21.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 tp -96.41 -70.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 46.4 61.49 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 109.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.28 177.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.27 155.57 6.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 95.95 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.58 -43.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.93 142.32 23.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.98 -75.66 0.42 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -112.18 124.25 52.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 0.807 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -109.19 51.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.91 141.58 9.52 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.2 mp -81.91 74.94 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -46.95 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.28 120.52 2.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -55.18 -51.67 65.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.76 -59.36 4.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -48.69 -43.88 37.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.2 mt -60.72 -59.76 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -51.34 54.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -62.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -60.51 -38.52 84.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.357 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 4.1 ttp180 -56.55 -70.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -55.28 -46.38 76.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.62 -60.01 5.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.485 HD22 ' CG ' ' A' ' 56' ' ' PHE . 86.9 mt -54.02 -61.97 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.99 -49.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -56.83 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.561 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.3 t80 -47.37 -57.57 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.652 ' CG1' HD13 ' A' ' 13' ' ' ILE . 3.5 tp -61.26 -40.17 85.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -44.83 64.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -39.33 33.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.575 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -57.29 -51.5 68.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -53.16 -54.47 35.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -40.89 -38.68 1.71 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.424 1.078 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.563 ' CE1' HG23 ' A' ' 69' ' ' ILE . 6.5 t-80 -50.09 134.39 22.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 109.56 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 69' ' ' ILE . 7.1 mt -57.8 -37.75 74.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.16 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.74 ' O ' HD12 ' A' ' 41' ' ' ILE . 69.0 mt-30 -47.41 -24.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -91.71 -38.63 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -50.26 139.74 14.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -86.31 -44.57 11.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 23.2 p -43.24 -38.44 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.242 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.27 -60.75 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.689 ' CD2' ' CE2' ' A' ' 42' ' ' PHE . 58.9 m80 -51.7 -54.09 32.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.44 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.8 OUTLIER -45.45 -57.32 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.777 ' CD2' HD22 ' A' ' 59' ' ' LEU . 2.2 t80 -51.39 -37.02 46.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.693 ' O ' HG11 ' A' ' 49' ' ' VAL . 51.5 mt -83.6 -89.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.495 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 84.8 mt-30 -36.84 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.04 144.34 49.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.91 -74.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.86 124.34 24.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.625 HD12 ' NH2' ' A' ' 51' ' ' ARG . 9.9 mt -84.55 110.26 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -70.94 115.82 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -81.61 7.89 11.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.44 25.41 3.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -178.18 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.1 t -115.86 118.61 38.42 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.33 17.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.11 126.55 6.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -66.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -70.5 159.44 34.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 168.25 83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 84.95 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 90.8 p -98.95 104.85 16.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 85.6 p -56.13 101.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.97 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 63.17 117.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.04 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.3 144.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.43 129.49 5.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -172.9 145.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.048 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -174.11 162.05 3.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.08 177.67 28.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -53.27 158.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' A' ' 39' ' ' LEU . 1.2 p-10 -61.6 148.33 42.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 8.6 p90 -156.69 124.02 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.682 HD21 ' HB1' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -124.43 115.54 21.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -137.57 157.9 45.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.491 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.5 mt -136.7 162.25 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.449 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 25.8 m-20 -142.65 146.83 34.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.525 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.0 mt -130.3 102.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -152.02 -173.81 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.451 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.8 m-20 67.52 62.62 0.75 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.99 104.84 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.557 ' C ' HG23 ' A' ' 29' ' ' THR . 0.7 OUTLIER -97.65 116.79 30.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.3 m -93.75 155.62 17.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.836 HG11 ' CE1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -111.33 166.32 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -50.0 -177.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 24' ' ' GLY . 56.5 t 58.1 161.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -135.38 -167.81 11.43 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.83 -73.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.738 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -98.34 24.14 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -74.99 164.48 26.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.836 ' CE1' HG11 ' A' ' 21' ' ' VAL . 3.8 p90 -138.61 174.67 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.557 HG23 ' C ' ' A' ' 19' ' ' GLN . 16.6 m -140.89 159.03 43.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.467 HG23 ' CE2' ' A' ' 28' ' ' PHE . 5.5 p -118.57 127.76 53.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.525 ' HB3' HG23 ' A' ' 15' ' ' ILE . 67.0 m-85 -100.49 131.42 46.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -77.26 117.36 18.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.32 101.41 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 13' ' ' ILE . 23.3 ttm180 -100.14 107.46 19.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.64 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.6 ttp -108.05 143.5 36.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' N ' ' HG2' ' A' ' 35' ' ' MET . 11.8 mtp180 -137.53 139.14 40.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.55 HG21 ' CD1' ' A' ' 42' ' ' PHE . 3.4 t -167.16 169.7 12.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -129.36 9.78 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' A' ' 9' ' ' ASN . 18.9 mt -79.99 153.27 74.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.02 -37.84 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.755 HD12 ' O ' ' A' ' 118' ' ' GLN . 8.0 pt -38.3 -43.28 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 41' ' ' ILE . 80.0 m-85 -81.48 139.15 35.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -80.88 -52.35 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.44 HD12 ' HB3' ' A' ' 128' ' ' GLN . 11.6 mt -91.45 122.31 33.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -61.12 -37.3 82.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -159.92 144.6 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.96 168.94 25.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -134.05 97.83 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 127' ' ' LEU . 15.9 m -116.11 147.68 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -105.91 140.41 38.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -147.4 166.76 26.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -100.32 174.19 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.404 ' HD1' HD21 ' A' ' 104' ' ' LEU . 9.3 t80 -68.53 -26.5 65.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -41.47 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 126' ' ' PHE . 20.8 t0 -42.36 -45.94 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CD1' HD22 ' A' ' 104' ' ' LEU . 46.0 m-85 -59.31 -43.94 92.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.51 -35.63 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.472 ' CE2' ' OE1' ' A' ' 62' ' ' GLU . 35.5 t90 -73.58 -50.01 23.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -55.66 -50.08 71.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -50.83 -60.76 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLU . 47.9 t-20 -44.82 -58.57 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.472 ' OE1' ' CE2' ' A' ' 58' ' ' TRP . 1.1 mp0 -39.52 -33.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 111' ' ' ILE . 79.7 mt -85.36 -46.66 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' ASN . 3.0 mt-10 -59.52 -17.59 33.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.245 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.36 -67.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 167.17 101.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.4 t -165.77 30.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mttp 49.92 23.31 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.8 mt -91.37 134.95 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.2 t -101.42 100.73 10.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.7 t -92.29 137.22 24.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 165.8 30.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.86 41.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 23.1 mt -96.28 146.96 32.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -75.07 104.24 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.25 -83.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.26 118.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -136.58 150.95 48.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.8 105.48 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt 66.08 136.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.61 91.66 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -45.08 167.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 77.4 mt -59.88 154.0 50.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 58.0 4.74 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.463 1.77 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.63 167.13 11.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -63.16 103.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.88 60.01 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -148.86 125.84 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.74 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -59.72 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 95.51 112.2 2.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.2 mm -79.44 -63.48 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.6 t80 52.35 97.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -161.64 144.7 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -40.72 -60.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -47.52 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -56.13 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mt -55.86 -43.1 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.373 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -60.64 3.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -50.14 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -71.59 -59.53 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.467 ' HG3' HG22 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -41.09 -61.28 1.02 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -59.79 -42.8 94.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.65 -50.09 50.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 56' ' ' PHE . 41.6 mt -61.25 -44.98 96.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 108' ' ' ILE . 0.4 OUTLIER -54.08 -51.65 63.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -51.41 68.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 7.2 t80 -49.78 -59.21 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.757 HD12 HG21 ' A' ' 111' ' ' ILE . 3.2 tp -62.49 -44.65 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.92 -36.67 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.95 -43.14 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.757 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -53.9 -45.92 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.682 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.91 -65.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.42 -36.27 0.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -46.16 131.89 7.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.591 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -39.85 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.486 1.782 . . . . 0.0 111.058 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.465 ' CB ' HG12 ' A' ' 69' ' ' ILE . 7.0 mt -62.74 -32.49 73.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.36 24.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.755 ' O ' HD12 ' A' ' 41' ' ' ILE . 39.6 mt-30 -54.36 -21.85 10.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -90.75 -33.16 15.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.61 135.45 57.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -28.46 23.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -45.9 90.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.469 ' HG ' HD12 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -54.84 -63.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.414 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 92.3 m-70 -39.18 -58.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.572 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.483 ' HG2' ' CG ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -46.34 -54.26 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.656 ' CD1' HD22 ' A' ' 59' ' ' LEU . 3.0 t80 -60.13 -31.8 70.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.469 HD12 ' HG ' ' A' ' 123' ' ' LEU . 47.6 mt -75.96 -51.79 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.48 ' O ' ' O ' ' A' ' 129' ' ' GLU . 60.8 mt-30 -116.6 -128.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.332 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.483 ' CG ' ' HG2' ' A' ' 125' ' ' MET . 0.0 OUTLIER 58.29 134.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -42.39 -52.64 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -154.69 135.24 13.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.643 HD11 ' HA ' ' A' ' 126' ' ' PHE . 15.3 mt -54.14 164.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.481 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 33.2 t0 -142.5 122.34 13.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.45 40.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -173.77 36.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 136' ' ' TYR . 0.1 OUTLIER -75.07 -175.03 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 55.0 t -129.1 116.77 18.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.55 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -160.73 123.18 1.19 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.94 142.57 3.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.6 t 74.59 166.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -58.29 -85.12 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -58.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.58 130.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -80.74 -58.39 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -168.88 154.09 6.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.74 164.99 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.51 152.92 10.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.36 168.93 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.92 160.33 21.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.0 -172.19 22.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.1 p -47.7 165.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HB3' HD21 ' A' ' 39' ' ' LEU . 57.7 m-20 -100.7 164.33 11.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.8 p90 -146.79 124.95 12.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.61 HD12 ' HB ' ' A' ' 37' ' ' THR . 6.6 tp -128.79 107.58 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -140.8 164.07 31.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.4 155.04 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -124.12 143.13 50.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.8 mt -135.7 103.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 17' ' ' ASN . 43.8 p90 -151.99 -173.8 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.515 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 2.8 t-20 65.88 59.67 1.12 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.1 Cg_endo -75.07 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.542 1.812 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.58 140.12 39.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -90.69 150.19 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.714 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -122.31 166.62 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.38 -171.04 0.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 24' ' ' GLY . 42.6 t -95.38 161.95 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -49.42 172.26 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 83.62 104.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 52.36 32.05 10.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' NE ' ' HA2' ' A' ' 24' ' ' GLY . 6.2 ptp180 -78.29 175.42 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.714 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 3.9 p90 -143.81 174.43 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -137.3 166.3 24.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.394 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.458 ' N ' ' CG2' ' A' ' 29' ' ' THR . 7.0 p -122.27 -177.62 3.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.59 ' HB3' HG23 ' A' ' 15' ' ' ILE . 82.2 m-85 -150.78 139.9 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.02 96.28 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.3 t -80.89 91.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.84 128.45 54.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.589 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 4.9 tmm? -115.05 154.8 28.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -143.17 117.05 9.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.61 ' HB ' HD12 ' A' ' 11' ' ' LEU . 6.7 t -147.95 169.5 19.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -131.7 8.67 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 9' ' ' ASN . 20.7 mt -77.92 154.27 80.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.99 -37.99 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.773 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.5 pt -39.21 -44.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.773 ' CE1' HD11 ' A' ' 41' ' ' ILE . 80.6 m-85 -83.11 133.69 35.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -71.68 -66.5 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -77.48 150.93 34.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -90.49 -35.54 15.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CG ' ' HG3' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -147.38 130.78 16.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.79 164.22 38.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.613 ' O ' HG13 ' A' ' 49' ' ' VAL . 20.1 p -135.32 156.54 48.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 108.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.639 HG11 ' O ' ' A' ' 127' ' ' LEU . 18.3 m -158.29 154.32 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.53 131.76 55.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.82 ' NH1' HD12 ' A' ' 132' ' ' ILE . 0.0 OUTLIER -160.28 166.02 30.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 20.0 mtm105 -87.44 179.93 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.545 ' HD2' HD11 ' A' ' 104' ' ' LEU . 9.7 t80 -66.13 -47.45 74.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' GLU . 14.4 m -50.34 -21.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 56' ' ' PHE . 8.8 p-10 -48.02 -36.78 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.906 ' CD2' HD22 ' A' ' 104' ' ' LEU . 68.3 m-85 -76.57 -25.99 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' SER . 14.1 mt-10 -71.35 -24.26 62.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.432 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 41.3 t90 -90.65 -37.82 13.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.521 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -64.54 -54.84 25.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -46.81 -63.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.401 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 4.5 t-20 -45.68 -48.7 14.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.1 mm-40 -45.85 -28.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.503 ' CD1' HD11 ' A' ' 111' ' ' ILE . 79.5 mt -84.61 -45.18 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.07 -16.42 31.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.05 -40.03 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.96 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 69' ' ' ILE . 0.3 OUTLIER -136.82 57.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER 40.46 32.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' SER . 6.6 mt -39.55 151.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.093 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' HB ' ' NE2' ' A' ' 114' ' ' HIS . 74.4 t -77.55 108.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 6.6 t -118.82 135.87 23.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.557 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.01 164.89 32.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.92 36.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 56' ' ' PHE . 10.0 mt -86.55 147.35 43.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.0 1.19 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.99 126.79 3.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.2 -66.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.38 147.41 10.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.2 72.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.2 163.79 12.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 138.46 31.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -75.91 169.41 18.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD12 ' HD2' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -112.87 145.56 33.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.42 ' HD2' HD12 ' A' ' 83' ' ' LEU . 18.5 Cg_endo -74.96 177.91 7.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 56.09 107.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 50.03 96.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.48 56.08 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.77 146.85 41.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -168.41 -49.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.36 86.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 0.6 OUTLIER 40.32 78.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -132.32 -62.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.93 119.13 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -44.57 -36.38 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -61.15 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.05 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 91' ' ' ILE . 81.3 t80 -44.15 -45.86 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.7 mt -65.25 -61.5 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.93 -52.07 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -63.74 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -44.64 96.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -49.54 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -52.42 -39.97 61.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.81 -57.1 19.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.906 HD22 ' CD2' ' A' ' 56' ' ' PHE . 39.2 mt -58.24 -62.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.42 -45.09 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -62.52 -56.08 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.1 t80 -45.91 -56.51 5.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.648 HD12 HG21 ' A' ' 111' ' ' ILE . 3.7 tp -62.77 -44.16 99.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.14 -36.72 13.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -42.66 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.648 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -55.03 -43.93 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -53.59 -56.31 18.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.259 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.93 -43.47 2.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.414 ' NE2' ' HB ' ' A' ' 70' ' ' VAL . 7.2 t-80 -43.43 132.87 3.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 0.796 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -46.22 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.28 -35.69 65.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.06 -44.94 52.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.696 ' O ' HD12 ' A' ' 41' ' ' ILE . 58.5 mt-30 -52.94 -21.6 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -92.82 -35.04 13.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -64.9 121.17 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -29.62 68.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.81 -23.62 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.7 tp -79.23 -49.03 13.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.539 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 72.9 m-70 -63.4 -55.95 20.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.7 OUTLIER -52.87 -24.04 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.732 ' HA ' HD11 ' A' ' 132' ' ' ILE . 55.7 t80 -85.67 -8.9 57.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.639 ' O ' HG11 ' A' ' 49' ' ' VAL . 31.8 mt -107.36 -94.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.443 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 42.8 mt-30 -39.83 -66.16 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.32 115.45 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.419 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 3.0 pm0 -67.27 -47.37 70.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.98 126.14 48.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.82 HD12 ' NH1' ' A' ' 51' ' ' ARG . 21.5 mt -91.07 137.13 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 134' ' ' ARG . 32.1 t70 -103.57 79.59 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 133' ' ' ASP . 2.7 mtt180 -35.18 150.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 135' ' ' ASN . 16.8 t30 46.43 67.48 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -98.15 172.08 7.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 69.3 t -102.76 117.87 59.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.17 42.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -132.88 6.5 5.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.46 -66.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.76 112.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -74.33 -169.62 21.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.7 142.35 30.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 95.6 p -111.45 93.16 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -175.17 145.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p 178.59 156.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.36 -163.39 17.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.465 1.103 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 p -178.0 121.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.753 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.85 157.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.46 129.82 1.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.1 m -113.41 167.5 10.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.522 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.8 m-20 -82.46 151.22 26.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 9.2 p90 -156.63 128.36 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.817 ' CD2' ' HB1' ' A' ' 112' ' ' ALA . 3.4 tp -125.2 105.55 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.01 158.5 44.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.711 HD13 ' CG1' ' A' ' 108' ' ' ILE . 3.2 mt -127.24 153.3 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -119.09 147.75 43.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.434 HG13 ' CA ' ' A' ' 105' ' ' GLU . 5.9 mm -133.56 98.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -152.65 -174.14 4.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.513 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.7 t30 64.94 59.28 1.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.02 113.01 3.69 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.49 141.45 47.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.555 HG21 ' HD3' ' A' ' 27' ' ' ARG . 49.9 m -91.46 147.85 22.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.886 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 2.9 t -116.75 166.13 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.39 144.07 15.75 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.57 HG22 ' N ' ' A' ' 24' ' ' GLY . 5.2 p -163.98 169.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.57 ' N ' HG22 ' A' ' 23' ' ' VAL . . . -32.5 -83.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.22 94.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 27' ' ' ARG . . . -179.06 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HD3' HG21 ' A' ' 20' ' ' THR . 7.2 ttm-85 56.84 154.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.948 ' CE1' HG22 ' A' ' 30' ' ' THR . 1.2 p90 -162.51 165.12 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.22 143.02 45.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.948 HG22 ' CE1' ' A' ' 28' ' ' PHE . 53.6 p -99.61 -178.16 3.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.469 ' CE1' ' HG3' ' A' ' 101' ' ' ARG . 61.1 m-85 -150.95 133.31 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.11 105.58 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 t -83.58 91.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -98.6 102.49 14.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 2.9 tmm? -97.91 154.74 17.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' SD ' ' A' ' 35' ' ' MET . 20.2 mtp180 -149.56 115.58 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.512 ' HB ' HD12 ' A' ' 11' ' ' LEU . 9.1 t -136.17 172.62 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -134.36 16.99 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 9' ' ' ASN . 35.4 mt -91.68 154.66 44.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -74.94 -37.59 2.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.766 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.2 pt -37.77 -44.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.766 ' CE1' HD11 ' A' ' 41' ' ' ILE . 81.4 m-85 -82.61 138.26 34.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -75.04 -51.34 13.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' A' ' 128' ' ' GLN . 11.2 mt -92.29 139.17 30.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -72.78 -31.16 64.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.91 142.1 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -156.2 165.91 35.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.83 141.33 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.0 m -145.45 165.74 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.82 109.66 15.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.27 151.24 49.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG2' ' CE1' ' A' ' 28' ' ' PHE . 74.2 mtm180 -79.7 158.48 26.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -47.93 -44.14 29.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.8 m -47.48 -26.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.6 ' OD1' ' CD2' ' A' ' 56' ' ' PHE . 3.8 p-10 -55.93 -35.99 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.909 ' CE2' HD13 ' A' ' 104' ' ' LEU . 52.2 m-85 -73.28 -49.21 28.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -50.19 -25.54 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.546 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 70.4 t90 -84.99 -54.83 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 108.04 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.694 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -51.19 -47.06 62.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.666 ' HD3' HD12 ' A' ' 74' ' ' LEU . 4.8 tttm -60.11 -64.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -47.8 -37.74 14.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.546 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 3.6 mm-40 -51.41 -24.46 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.507 ' HB2' HG21 ' A' ' 71' ' ' VAL . 10.5 mt -98.71 -32.37 11.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.95 -39.79 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.415 ' HG2' ' C ' ' A' ' 62' ' ' GLU . 5.1 ptm180 -41.21 -32.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 67' ' ' SER . 2.6 t70 170.31 116.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER 159.74 122.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -17.29 8.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.508 HG23 ' CE1' ' A' ' 114' ' ' HIS . 7.5 mt -45.04 141.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.1 t -98.24 101.77 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 63' ' ' LEU . 8.9 t -86.97 137.29 33.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.04 166.57 28.87 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 147.02 33.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.666 HD12 ' HD3' ' A' ' 60' ' ' LYS . 14.2 mt -94.68 151.48 39.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 112.92 3.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.42 124.17 3.7 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -66.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.77 173.53 15.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.05 64.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 126.63 29.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.77 131.15 17.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.51 -58.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.01 156.86 74.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 73.39 4.32 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.88 109.89 21.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.84 92.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.69 95.35 0.12 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.431 1.082 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' GLU . 13.6 m-20 51.09 89.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -38.64 -55.59 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 91' ' ' ILE . . . 157.24 118.44 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' GLY . 6.6 mt 39.44 87.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -153.48 -49.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.0 151.66 14.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.23 -49.07 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 p -59.43 -59.39 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -41.13 -57.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.2 mt -53.2 -52.37 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -49.76 -50.19 45.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -59.34 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -60.18 -46.27 90.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.469 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 2.4 ttp180 -42.78 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -53.36 -49.39 67.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.0 -66.69 0.65 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.421 1.075 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.909 HD13 ' CE2' ' A' ' 56' ' ' PHE . 80.9 mt -50.7 -61.65 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.434 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.7 tt0 -38.33 -48.21 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -56.81 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.5 t80 -44.8 -58.99 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.865 HD12 HG21 ' A' ' 111' ' ' ILE . 7.0 tp -60.73 -43.55 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -41.95 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -42.95 16.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.865 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -54.81 -36.91 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.817 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -63.96 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.97 -31.26 0.09 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.508 ' CE1' HG23 ' A' ' 69' ' ' ILE . 4.0 t-80 -58.27 128.15 81.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.4 mt -61.03 -38.87 87.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.05 -44.64 60.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.682 ' O ' HD12 ' A' ' 41' ' ' ILE . 50.4 mt-30 -49.21 -25.23 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -90.52 -40.28 12.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -45.51 142.78 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.19 -24.77 25.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 27.2 p -61.89 -42.53 99.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 tp -64.53 -53.61 45.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 127' ' ' LEU . 32.6 m-70 -44.86 -55.05 5.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.547 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.544 ' SD ' HG23 ' A' ' 132' ' ' ILE . 1.1 ttm -54.85 -56.46 19.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.694 ' CD2' HD22 ' A' ' 59' ' ' LEU . 46.6 t80 -36.57 -32.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' MET . 3.8 mt -112.78 157.49 21.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.569 ' HB3' HD12 ' A' ' 44' ' ' LEU . 30.2 mt-30 75.27 -55.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.46 130.74 40.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -72.27 -67.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -94.95 127.55 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.544 HG23 ' SD ' ' A' ' 125' ' ' MET . 59.2 mt -82.28 133.34 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -93.36 80.29 4.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -40.44 144.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 32.8 t30 57.56 59.08 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -88.87 176.19 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.33 125.81 26.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 84.11 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -170.99 115.58 0.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.34 -63.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.2 t -99.59 -58.49 1.92 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.44 -170.05 15.12 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.71 89.27 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.95 94.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.567 1.167 . . . . 0.0 110.945 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.45 98.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.946 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.52 164.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.26 124.1 2.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -169.26 130.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 p -177.26 166.67 2.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.3 150.31 5.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.7 p 49.27 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.533 ' HB3' HD21 ' A' ' 39' ' ' LEU . 5.3 m120 -60.15 155.05 18.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.0 p90 -158.03 133.61 8.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD12 ' HB ' ' A' ' 37' ' ' THR . 6.0 tp -129.34 102.77 6.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -130.61 164.17 25.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.4 mt -135.58 156.6 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.79 141.7 50.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.524 HG23 ' CB ' ' A' ' 31' ' ' TYR . 2.1 mm -129.45 98.98 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -153.32 -174.34 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 4.3 t-20 68.24 62.32 0.68 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.03 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.25 119.49 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 28' ' ' PHE . 69.3 m -85.51 152.22 23.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.72 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -122.53 166.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.37 169.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.4 t -134.97 142.39 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.01 -174.68 31.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.73 167.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 52.46 69.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.408 ' O ' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -115.22 150.84 35.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.72 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 6.5 p90 -143.77 172.84 12.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 m -143.03 167.3 22.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.5 p -137.92 156.43 47.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.524 ' CB ' HG23 ' A' ' 15' ' ' ILE . 58.1 m-85 -120.03 143.45 48.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.82 96.56 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.603 HG21 ' HB2' ' A' ' 51' ' ' ARG . 6.8 t -77.57 91.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.57 99.41 11.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.567 ' SD ' HD13 ' A' ' 127' ' ' LEU . 9.7 ttp -93.83 143.84 25.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.417 ' N ' ' HG2' ' A' ' 35' ' ' MET . 29.8 ptt180 -140.79 145.19 36.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.627 HG21 ' CD1' ' A' ' 42' ' ' PHE . 5.5 t -172.97 162.81 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.406 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -120.72 14.77 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 9' ' ' ASN . 33.2 mt -82.69 154.08 68.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.5 Cg_endo -74.97 -37.13 2.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.784 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.1 pt -37.76 -44.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.784 ' CE1' HD11 ' A' ' 41' ' ' ILE . 83.4 m-85 -84.67 151.16 24.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -94.97 -42.57 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -97.18 141.74 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -88.33 -35.97 16.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.79 126.37 15.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.227 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.12 163.1 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.408 ' C ' HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -135.4 145.36 47.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 108.359 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.408 HG13 ' C ' ' A' ' 48' ' ' CYS . 28.6 m -152.72 163.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -87.62 127.91 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.603 ' HB2' HG21 ' A' ' 33' ' ' VAL . 12.0 mmp_? -139.74 127.17 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -109.48 164.1 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 50.3 t80 -50.04 -38.26 37.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -48.07 71.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.24 -55.22 13.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.736 ' CD2' HD22 ' A' ' 104' ' ' LEU . 34.3 m-85 -47.7 -51.15 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.02 -54.67 6.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.447 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 48.6 t90 -50.67 -49.06 58.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 108.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.564 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -56.88 -49.81 74.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -58.02 -62.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.47 -51.58 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 30.6 mm-40 -40.45 -41.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.532 ' CD1' HD11 ' A' ' 111' ' ' ILE . 64.9 mt -68.77 -59.55 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -47.99 -30.75 4.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -46.85 75.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -156.9 101.93 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 0.1 OUTLIER 179.4 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.999 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 67' ' ' SER . 0.2 OUTLIER 76.8 -46.47 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LYS . 3.3 mt -36.86 152.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.6 t -90.11 103.81 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 63' ' ' LEU . 13.0 t -82.62 140.49 44.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.575 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.97 163.49 35.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.443 1.759 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.8 42.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 mt -100.86 151.24 37.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.592 ' O ' ' CE1' ' A' ' 53' ' ' TYR . 18.2 Cg_endo -75.04 112.82 3.65 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.456 1.766 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 77' ' ' LYS . . . 161.98 -86.88 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER 88.01 160.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.28 172.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 tp -178.76 154.5 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -37.91 68.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 47.08 74.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -75.5 137.39 40.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.0 mt -56.37 155.43 13.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.92 2.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.07 -43.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.3 -50.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -118.0 139.29 14.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.63 161.51 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.25 -58.1 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.64 123.09 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.616 HG23 ' HE2' ' A' ' 96' ' ' PHE . 6.7 mt -84.78 78.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 0.722 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -131.0 -51.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -39.01 130.78 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -61.57 -52.14 65.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.29 -51.77 18.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.616 ' HE2' HG23 ' A' ' 91' ' ' ILE . 81.8 t80 -51.41 -44.7 62.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.6 mt -60.58 -52.14 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.14 -58.76 6.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -62.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.42 -47.85 84.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -50.22 -60.2 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -64.81 -47.61 77.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -43.99 -62.88 2.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.736 HD22 ' CD2' ' A' ' 56' ' ' PHE . 26.2 mt -52.59 -55.95 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 1.6 tt0 -49.17 -49.1 44.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -43.29 96.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.9 t80 -62.42 -60.21 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.461 HD12 HG21 ' A' ' 111' ' ' ILE . 5.7 tp -58.98 -28.26 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 105' ' ' GLU . 0.7 OUTLIER -60.22 -61.07 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -37.82 88.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.532 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -61.55 -53.91 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.513 ' N ' HG22 ' A' ' 111' ' ' ILE . . . -52.42 -63.09 1.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ALA . . . -37.63 -34.85 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -53.11 126.28 43.69 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.567 0.804 . . . . 0.0 109.62 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.3 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 116' ' ' LEU . 4.3 mt -62.31 -38.04 87.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -72.47 -43.13 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.61 ' O ' HD12 ' A' ' 41' ' ' ILE . 52.6 mt-30 -46.73 -24.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -89.43 -37.02 15.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 117' ' ' ALA . 45.0 mm-40 -48.58 133.96 16.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -78.9 -45.4 20.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.8 p -44.13 -45.82 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.272 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' HIS . 1.9 tp -64.13 -60.93 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' LEU . 5.4 m-70 -39.25 -48.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.434 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.4 OUTLIER -58.51 -54.34 48.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.767 ' HA ' HD11 ' A' ' 132' ' ' ILE . 58.0 t80 -37.92 -32.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.567 HD13 ' SD ' ' A' ' 35' ' ' MET . 2.6 mt -109.06 160.22 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 127' ' ' LEU . 74.0 mt-30 72.57 -56.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.77 107.15 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -49.67 51.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -111.92 126.78 55.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.767 HD11 ' HA ' ' A' ' 126' ' ' PHE . 41.6 mt -79.44 112.16 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 135' ' ' ASN . 58.6 m-20 -75.21 96.25 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -67.39 70.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.0 OUTLIER 176.06 40.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -94.69 173.41 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 65.5 t -119.38 119.3 31.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -123.47 124.91 5.73 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 107.28 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.1 p -99.9 83.1 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.051 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 164.76 150.2 6.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 144' ' ' SER . 18.3 Cg_endo -74.98 71.85 4.84 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 143' ' ' PRO . 9.1 t 54.34 104.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.38 85.88 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -146.62 121.27 9.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m 58.58 158.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.41 63.94 0.18 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.87 127.92 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -126.24 141.76 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.38 -153.34 10.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.1 m -71.13 165.73 22.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 109.958 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.635 ' HB2' HD21 ' A' ' 39' ' ' LEU . 2.5 p-10 -109.34 158.55 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.4 p90 -157.98 122.93 4.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.784 HD21 ' HB1' ' A' ' 112' ' ' ALA . 3.3 tp -118.99 110.11 16.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.11 159.91 40.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.99 140.68 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.16 140.23 48.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG22 ' HG3' ' A' ' 101' ' ' ARG . 2.2 mt -128.16 102.77 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -147.39 -174.49 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.44 65.58 0.9 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.12 25.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.92 122.66 9.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.418 ' HG1' ' HG1' ' A' ' 29' ' ' THR . 49.0 m -79.72 141.43 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.656 HG13 ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.19 164.75 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.259 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.519 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 68.45 153.69 0.54 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.1 t -137.85 139.91 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.243 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.25 -90.26 0.09 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.88 -54.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.13 43.78 1.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -45.55 170.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.656 ' CZ ' HG13 ' A' ' 21' ' ' VAL . 3.2 p90 -131.9 173.87 10.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.418 ' HG1' ' HG1' ' A' ' 20' ' ' THR . 1.8 m -132.14 160.94 34.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.635 HG22 ' HE2' ' A' ' 28' ' ' PHE . 76.2 p -115.95 169.25 9.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -148.3 139.3 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' OE1' ' CA ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -78.11 118.16 20.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.5 t -97.15 102.15 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -107.83 105.34 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 3.0 tmm? -101.95 154.13 19.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' N ' ' SD ' ' A' ' 35' ' ' MET . 1.1 mtm180 -151.85 110.48 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.724 ' HB ' HD12 ' A' ' 11' ' ' LEU . 12.2 t -132.74 166.36 22.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -125.25 20.64 8.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.8 mt -92.43 153.6 42.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.98 -37.92 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.785 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.2 pt -38.35 -44.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.785 ' CE1' HD11 ' A' ' 41' ' ' ILE . 84.7 m-85 -82.87 129.17 34.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -67.14 -54.57 20.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mt -88.77 150.12 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -89.56 -40.58 12.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -145.65 141.03 27.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 t -156.88 166.97 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t -133.94 124.61 26.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 108.291 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.1 m -145.16 167.32 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -111.42 130.01 55.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.404 ' NH1' ' O ' ' A' ' 130' ' ' GLU . 33.4 mmt180 -135.51 128.07 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 28' ' ' PHE . 7.3 mtm180 -83.63 165.79 18.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.457 ' CD1' ' HD2' ' A' ' 100' ' ' ARG . 47.1 t80 -58.91 -24.09 61.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.9 m -74.7 -51.5 14.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -43.19 -44.86 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.654 ' CD2' HD22 ' A' ' 104' ' ' LEU . 20.8 m-85 -58.26 -45.09 88.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.38 -49.04 73.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.561 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 16.5 t90 -63.91 -34.54 78.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.524 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -65.93 -50.8 63.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.617 ' HA ' HD12 ' A' ' 63' ' ' LEU . 13.2 tttm -58.84 -61.97 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.46 -34.81 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.561 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.6 mm-40 -60.37 -37.3 80.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.884 HD13 HD11 ' A' ' 111' ' ' ILE . 0.6 OUTLIER -84.39 -8.04 59.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.37 50.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.88 -67.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 166.19 82.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 m -150.67 20.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mttt 59.88 15.56 5.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.656 HG12 HD12 ' A' ' 116' ' ' LEU . 3.9 mt -70.3 137.15 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.65 105.08 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 72' ' ' PRO . 4.1 t -98.86 140.25 21.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.1 Cg_endo -75.05 160.87 39.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.4 35.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.813 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 18.8 mt -93.78 143.27 26.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.441 ' O ' ' CE1' ' A' ' 53' ' ' TYR . 18.3 Cg_endo -74.96 109.99 3.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 77' ' ' LYS . . . 172.12 -141.58 6.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER 84.48 81.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -133.0 129.19 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.52 66.43 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.9 mttp 55.6 83.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -93.05 -67.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -165.76 99.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.05 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -51.97 155.49 3.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.724 ' O ' HD22 ' A' ' 83' ' ' LEU . 18.4 Cg_endo -74.96 -159.81 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -160.5 101.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.48 -61.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -168.31 -96.52 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 93.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -81.5 72.07 8.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.46 -152.54 5.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.174 HD12 ' CE2' ' A' ' 96' ' ' PHE . 26.9 mm -87.2 82.76 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -139.46 85.57 2.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -156.6 140.5 16.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.45 -59.88 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.4 OUTLIER -47.59 -61.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 1.174 ' CE2' HD12 ' A' ' 91' ' ' ILE . 30.8 t80 -43.6 -52.41 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.7 mt -56.1 -35.3 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 95' ' ' SER . 17.3 tt0 -74.34 -57.17 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.33 -48.24 9.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.457 ' HD2' ' CD1' ' A' ' 53' ' ' TYR . 7.2 tpp180 -65.84 -50.72 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.46 ' HG3' HG22 ' A' ' 15' ' ' ILE . 4.6 ttt180 -51.73 -68.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -54.59 -38.96 67.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.44 -62.3 5.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.654 HD22 ' CD2' ' A' ' 56' ' ' PHE . 55.2 mt -51.81 -48.15 63.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 108' ' ' ILE . 0.7 OUTLIER -51.54 -55.47 18.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -55.43 -47.87 75.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 6.3 t80 -54.07 -59.01 5.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.759 HD12 HG21 ' A' ' 111' ' ' ILE . 4.6 tp -61.16 -42.15 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -39.77 41.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -40.72 15.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.884 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -56.59 -48.04 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.784 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -58.47 -47.28 84.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -48.27 -35.47 14.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -55.35 135.85 69.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.447 1.761 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.656 HD12 HG12 ' A' ' 69' ' ' ILE . 7.4 mt -56.7 -37.14 70.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.03 -44.68 68.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.662 ' O ' HD12 ' A' ' 41' ' ' ILE . 63.1 mt-30 -52.74 -24.21 8.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -92.28 -31.78 15.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.436 ' HG3' HD23 ' A' ' 63' ' ' LEU . 49.7 mm-40 -54.32 140.21 34.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.2 -48.97 9.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 24.9 p -44.11 -33.61 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 108.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.71 -52.08 28.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -55.96 -28.97 59.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.457 ' CE ' ' CD2' ' A' ' 136' ' ' TYR . 0.0 OUTLIER -72.76 -31.05 64.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.524 ' CG ' HD22 ' A' ' 59' ' ' LEU . 43.7 t80 -70.1 -20.06 63.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.0 mt -116.0 150.99 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 77.09 -54.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.251 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.09 153.64 30.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.404 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 19.3 tp10 -93.02 -61.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.56 129.21 45.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.421 ' HA ' ' SD ' ' A' ' 125' ' ' MET . 16.7 mt -84.13 114.96 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -72.03 79.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -38.24 157.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 135' ' ' ASN . 18.7 t30 42.43 67.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.457 ' CD2' ' CE ' ' A' ' 125' ' ' MET . 44.2 p90 -96.09 -178.78 4.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.04 114.48 63.64 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -164.52 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.18 -138.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 119.95 9.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -175.69 170.15 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -74.01 156.61 50.56 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 41.3 t -137.24 141.41 42.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.3 t -147.3 114.44 6.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 m 62.44 154.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.054 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.25 151.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.83 126.35 0.86 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -136.97 103.45 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.1 162.7 40.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.57 85.51 0.15 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 t -179.47 119.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.993 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.486 ' HB2' HD21 ' A' ' 39' ' ' LEU . 12.2 p30 -83.5 146.17 28.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.8 p90 -157.26 122.42 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.0 tp -120.73 104.62 10.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -132.19 157.88 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.482 HD13 HG12 ' A' ' 108' ' ' ILE . 4.3 mt -129.13 152.23 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.7 139.48 53.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.5 HG22 ' HG3' ' A' ' 101' ' ' ARG . 2.6 mt -130.87 102.49 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -151.29 -174.9 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER 66.42 64.46 0.83 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -75.04 145.65 31.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.26 117.71 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 27' ' ' ARG . 4.5 m -78.11 137.16 38.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.617 HG13 ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -141.49 164.54 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.12 153.16 20.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.097 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.5 t -140.02 139.88 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.55 -89.39 0.48 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.73 172.51 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.341 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 43.04 69.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.47 ' HD2' ' CG2' ' A' ' 20' ' ' THR . 0.0 OUTLIER -76.48 166.8 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.617 ' CZ ' HG13 ' A' ' 21' ' ' VAL . 3.3 p90 -150.78 174.41 13.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 111.059 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 t -139.55 166.6 24.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.9 p -121.4 -177.75 3.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -150.78 151.12 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.99 99.07 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.8 t -78.03 97.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -105.04 107.94 19.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 4.6 tmm? -104.53 155.23 19.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' N ' ' SD ' ' A' ' 35' ' ' MET . 2.9 mtp180 -147.79 107.03 3.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.52 ' HB ' HD12 ' A' ' 11' ' ' LEU . 13.8 t -128.65 170.6 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.32 13.98 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 9' ' ' ASN . 32.6 mt -86.01 155.98 57.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.0 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.785 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.6 pt -38.43 -44.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.785 ' CE1' HD11 ' A' ' 41' ' ' ILE . 81.4 m-85 -83.34 129.85 35.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -68.99 -52.95 23.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.81 149.2 23.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -86.13 -32.42 21.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -159.35 143.95 15.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 t -156.66 168.32 27.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.6 p -134.41 129.43 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.41 176.76 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 144.37 41.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 14.6 tpp180 -156.65 128.62 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -85.54 178.54 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -73.74 -25.53 60.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -41.04 61.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -48.84 -49.25 40.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.797 ' CD2' HD22 ' A' ' 104' ' ' LEU . 25.2 m-85 -54.31 -45.91 72.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 1.3 mt-10 -52.78 -36.12 57.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.405 ' CZ3' ' SG ' ' A' ' 122' ' ' CYS . 14.4 t90 -71.3 -45.52 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.033 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.11 -46.05 90.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 63' ' ' LEU . 19.5 tttm -64.17 -64.56 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -48.62 -30.33 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.49 -35.15 79.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 111' ' ' ILE . 39.8 mt -71.9 -45.26 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -66.72 -32.01 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.55 -66.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.05 95.51 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.34 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm 68.22 15.11 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 mt -64.01 156.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -86.06 102.61 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 4.0 t -104.25 137.25 19.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.576 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -74.99 164.58 33.08 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 151.5 39.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.443 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 28.0 mt -94.36 148.53 35.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 81.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.06 146.98 5.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -142.11 -58.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.79 164.19 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tt -169.49 -65.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.51 89.57 3.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -155.85 165.06 37.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 60.63 92.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.4 mp -46.87 168.38 0.13 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.8 20.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.6 129.25 14.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 40.49 88.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.251 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.16 106.15 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.52 134.89 54.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -147.29 119.41 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.5 -133.9 4.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.706 ' O ' HD12 ' A' ' 91' ' ' ILE . 2.5 pp -139.27 108.22 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 14.4 p90 -162.64 98.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -142.46 154.28 44.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.33 -56.64 6.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.9 t -42.92 -59.18 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.687 ' CE2' HD13 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -48.94 -52.28 25.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.7 mt -49.67 -48.22 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.84 -54.2 45.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -57.05 9.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.05 -52.62 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.5 ' HG3' HG22 ' A' ' 15' ' ' ILE . 1.1 ttp-105 -49.86 -68.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -54.9 -45.96 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.59 -69.39 0.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.797 HD22 ' CD2' ' A' ' 56' ' ' PHE . 42.5 mt -40.83 -55.29 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.272 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.93 -44.59 9.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -55.89 20.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -44.42 -54.54 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.594 HD12 ' CG2' ' A' ' 111' ' ' ILE . 5.1 tp -66.57 -50.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.453 ' N ' HG23 ' A' ' 108' ' ' ILE . 0.7 OUTLIER -39.42 -35.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.91 -59.91 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.594 ' CG2' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -42.03 -31.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -63.28 -56.98 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.97 -36.48 2.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.562 1.163 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 116' ' ' LEU . 3.1 t60 -52.89 126.56 42.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.612 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.56 2.45 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.6 mt -64.46 -26.79 68.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.73 -40.34 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.501 ' O ' HD12 ' A' ' 41' ' ' ILE . 66.8 mt-30 -52.36 -25.17 9.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -89.74 -41.57 11.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.431 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 44.4 mm-40 -39.62 135.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.418 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 2.0 tpt180 -78.26 -22.04 48.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.405 ' SG ' ' CZ3' ' A' ' 58' ' ' TRP . 40.8 t -64.11 -56.89 11.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 tp -52.3 -57.02 11.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 127' ' ' LEU . 22.1 m-70 -43.61 -56.26 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.4 OUTLIER -57.64 -53.27 60.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.796 ' HA ' HD11 ' A' ' 132' ' ' ILE . 36.8 t80 -37.86 -44.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 124' ' ' HIS . 1.4 mt -103.58 165.38 11.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 77.03 -54.76 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.05 150.31 27.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -85.18 -59.57 2.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.91 125.55 45.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.796 HD11 ' HA ' ' A' ' 126' ' ' PHE . 29.3 mt -81.98 114.24 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 134' ' ' ARG . 1.8 m-20 -72.57 74.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 133' ' ' ASP . 14.0 mtp180 -38.31 150.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 30.2 t30 60.77 57.22 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' A' ' 136' ' ' TYR . 5.1 p90 -94.05 169.18 10.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 58.6 t -112.65 124.66 31.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 64.3 6.01 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -155.74 -170.46 21.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt 65.51 139.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.5 t 59.94 168.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 141.84 82.05 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.81 4.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 27.5 p -106.06 -58.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.2 t -41.61 138.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.034 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.14 91.22 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.57 152.73 25.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.94 71.59 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.092 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -102.6 129.05 49.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.78 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -158.28 139.8 13.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.69 110.51 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.6 m 53.43 102.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.476 ' HB2' HD21 ' A' ' 39' ' ' LEU . 2.9 p-10 -105.08 154.74 19.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 9.6 p90 -156.86 122.69 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.779 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.1 tp -120.33 106.1 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -132.04 160.81 34.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mt -134.8 139.62 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.01 141.21 47.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' A' ' 31' ' ' TYR . 1.7 mt -132.07 104.87 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 101' ' ' ARG . 44.1 p90 -151.0 -174.83 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 58.17 71.97 0.95 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.51 28.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.8 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -145.3 118.63 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.5 m -92.51 131.68 37.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.659 HG13 ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -141.2 163.79 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 138.35 148.24 5.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.1 t -139.15 140.12 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.31 -67.04 0.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.48 173.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 39.68 70.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.37 177.17 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.659 ' CZ ' HG13 ' A' ' 21' ' ' VAL . 2.7 p90 -139.23 171.76 13.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.0 m -140.98 146.52 37.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 52' ' ' ARG . 2.6 p -141.38 131.14 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.399 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.426 ' HB2' HG23 ' A' ' 15' ' ' ILE . 17.2 m-85 -97.38 156.6 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.55 96.67 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.7 t -78.78 108.21 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -110.53 102.17 10.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.413 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tmm? -99.82 153.49 19.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -151.32 111.23 4.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.609 ' HB ' HD12 ' A' ' 11' ' ' LEU . 11.5 t -130.99 170.1 14.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -131.46 19.06 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.2 mt -93.43 154.72 41.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -38.21 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.747 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.1 pt -38.08 -44.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' A' ' 41' ' ' ILE . 81.0 m-85 -81.86 131.19 35.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -66.01 -55.14 18.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.072 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.6 mt -91.73 143.52 26.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -79.59 -29.8 41.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -165.89 144.26 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.4 170.64 21.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.6 p -125.24 117.67 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.265 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.4 m -136.93 173.04 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 6.4 ptt180 -125.71 123.29 38.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 12.7 mmp_? -123.58 152.83 41.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' HB3' HG22 ' A' ' 30' ' ' THR . 19.0 ptt180 -120.71 150.02 41.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -39.61 -43.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -45.57 69.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ARG . 83.1 m-20 -55.1 -56.44 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.736 ' HB3' HD21 ' A' ' 74' ' ' LEU . 65.0 m-85 -47.1 -41.9 18.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -61.01 -48.15 83.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.605 ' CZ2' ' OE1' ' A' ' 62' ' ' GLU . 6.7 t90 -63.23 -42.61 99.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.3 -52.32 64.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' LEU . 15.0 tttm -56.9 -69.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -45.59 -34.78 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.605 ' OE1' ' CZ2' ' A' ' 58' ' ' TRP . 0.7 OUTLIER -69.61 -39.28 77.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.529 ' CD1' HD11 ' A' ' 111' ' ' ILE . 3.1 mt -60.11 -43.22 95.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.12 45.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -94.02 -67.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -130.73 71.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.9 p 168.82 134.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.09 46.11 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mt -70.49 152.78 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.363 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.7 t -95.59 100.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 10.6 t -100.64 137.17 19.8 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.07 159.11 41.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.34 40.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.736 HD21 ' HB3' ' A' ' 56' ' ' PHE . 12.5 mt -94.35 150.2 37.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 93.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.18 77.43 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.3 101.35 6.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.74 166.85 11.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 mp -100.93 114.94 29.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 155.93 32.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 58.61 163.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.6 100.8 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.06 158.37 72.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.13 18.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 58.85 93.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.29 96.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.81 -119.11 2.44 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 t70 59.64 92.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -85.74 70.38 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.25 98.51 2.42 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.507 1.13 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.893 HG23 ' CE2' ' A' ' 96' ' ' PHE . 78.1 mt -97.19 53.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 11.7 p90 -160.63 94.31 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 6.5 mt-10 -162.79 145.19 10.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.81 -40.09 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.9 -58.73 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.893 ' CE2' HG23 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -45.17 -57.51 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 13.3 mt -47.91 -57.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.21 -49.09 70.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -57.23 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -53.67 -55.32 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 16' ' ' PHE . 20.2 ttp180 -46.96 -66.61 0.38 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.15 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -41.08 -60.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.24 -63.23 1.87 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.586 HD22 ' CD2' ' A' ' 56' ' ' PHE . 45.8 mt -44.03 -59.43 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.97 -46.6 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -55.18 23.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 5.3 t80 -43.91 -58.8 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.698 HD12 HG21 ' A' ' 111' ' ' ILE . 4.4 tp -61.27 -49.53 84.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.434 ' N ' HG23 ' A' ' 108' ' ' ILE . 1.2 m-80 -44.35 -37.85 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 -40.82 13.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.698 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -55.89 -48.45 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.779 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -56.74 -57.84 10.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.78 -33.0 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -58.06 131.89 83.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.0 mt -56.76 -36.59 69.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.417 ' HB1' HD22 ' A' ' 123' ' ' LEU . . . -73.39 -48.48 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.671 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.1 mt-30 -47.02 -25.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.52 -43.77 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.05 138.35 15.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 -41.32 17.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 27.3 p -44.92 -41.05 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.31 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.417 HD22 ' HB1' ' A' ' 117' ' ' ALA . 9.7 tp -60.98 -58.65 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -39.89 -61.41 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 127' ' ' LEU . 1.9 ttm -37.71 -57.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.553 ' CD1' HD22 ' A' ' 59' ' ' LEU . 15.8 t80 -36.9 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' MET . 2.6 mt -112.92 155.59 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 77.76 -54.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.13 115.29 9.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -51.02 39.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -114.3 164.76 13.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 20.9 mm -91.83 103.74 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 134' ' ' ARG . 28.5 t0 -82.88 76.63 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 7.4 mtm-85 -37.89 128.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' A' ' 136' ' ' TYR . 17.2 t-20 84.84 -48.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 135' ' ' ASN . 47.9 p90 37.87 -159.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.413 ' N ' ' CD2' ' A' ' 136' ' ' TYR . 62.2 t -125.21 114.98 25.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 98.85 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 146.8 111.84 0.7 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.91 137.06 42.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.2 m -130.98 138.66 49.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.25 78.03 0.04 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.415 1.072 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 142.57 27.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 40.9 t -107.89 -58.57 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.7 m 50.48 88.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -47.71 168.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t 59.99 152.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.05 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.73 83.59 0.61 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.07 115.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -176.1 142.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.6 151.07 5.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 m -59.02 168.01 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HB2' HD21 ' A' ' 39' ' ' LEU . 11.3 p30 -93.8 144.22 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 34.5 p90 -154.23 124.4 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.766 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.2 tp -123.2 112.96 18.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.18 155.03 43.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.563 HD13 ' CG1' ' A' ' 108' ' ' ILE . 3.3 mt -124.48 149.37 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.576 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 5.8 m-20 -114.71 148.19 38.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.431 HG13 ' CA ' ' A' ' 105' ' ' GLU . 10.8 mm -132.6 98.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -152.43 -174.91 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 64.23 62.94 1.38 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -75.02 135.04 18.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.81 ' O ' HG23 ' A' ' 29' ' ' THR . 4.2 pt20 -140.65 128.69 22.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.2 m -95.38 155.13 16.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.75 HG11 ' CE1' ' A' ' 28' ' ' PHE . 2.3 m -96.87 166.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.18 142.71 48.52 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 24' ' ' GLY . 1.5 p -48.18 164.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' N ' ' CG2' ' A' ' 23' ' ' VAL . . . 166.56 -57.36 0.24 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.09 126.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 27' ' ' ARG . . . 41.81 47.86 3.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' ALA . 5.7 ptp180 -37.93 150.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.75 ' CE1' HG11 ' A' ' 21' ' ' VAL . 1.6 p90 -139.49 174.87 10.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.81 HG23 ' O ' ' A' ' 19' ' ' GLN . 31.7 m -140.56 149.46 42.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.406 HG23 ' CE2' ' A' ' 28' ' ' PHE . 25.9 p -107.65 -174.8 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.528 ' OH ' HG23 ' A' ' 97' ' ' ILE . 72.2 m-85 -148.73 145.29 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 96.83 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 15' ' ' ILE . 48.7 t -77.68 91.83 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -97.76 107.98 20.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.465 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.2 tmm? -103.66 154.86 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' SD ' ' A' ' 35' ' ' MET . 2.0 mtt85 -149.48 114.73 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.661 ' HB ' HD12 ' A' ' 11' ' ' LEU . 7.6 t -138.22 171.61 14.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.46 ' ND2' ' CD2' ' A' ' 10' ' ' PHE . 5.3 p30 -131.71 11.92 4.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 9' ' ' ASN . 24.9 mt -81.68 154.96 71.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.94 -38.21 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.776 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.8 pt -38.33 -44.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.776 ' CE1' HD11 ' A' ' 41' ' ' ILE . 82.0 m-85 -84.05 136.95 33.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -74.96 -54.31 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.22 144.3 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -80.72 -31.07 36.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 47' ' ' SER . 5.1 tt0 -152.92 142.1 21.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 5.5 p -156.7 155.84 32.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.42 121.81 25.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.345 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.9 m -125.12 173.71 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -123.5 118.43 27.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -150.81 154.38 37.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HD3' ' CD2' ' A' ' 28' ' ' PHE . 6.1 ptt180 -107.57 174.85 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 21.7 t80 -50.1 -32.87 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.4 t -58.94 -21.26 57.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.539 ' CG ' ' CE1' ' A' ' 126' ' ' PHE . 44.8 t0 -70.99 -66.45 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.754 ' CD1' HD22 ' A' ' 104' ' ' LEU . 92.7 m-85 -45.41 -38.08 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 53' ' ' TYR . 3.8 mt-10 -61.17 -45.34 95.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -65.79 -42.28 90.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 107.986 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -53.04 61.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -55.21 -64.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -48.67 -34.35 11.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HG2' ' CB ' ' A' ' 122' ' ' CYS . 3.8 tp10 -66.21 -40.8 90.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.513 ' CD1' HD11 ' A' ' 111' ' ' ILE . 18.7 mt -65.11 -49.02 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -67.53 -32.18 72.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.83 -66.8 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -132.26 83.35 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.35 127.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -86.27 45.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.4 mt -94.64 153.8 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.8 t -93.23 101.98 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.8 t -91.94 138.64 24.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 168.42 24.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 143.71 29.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 56' ' ' PHE . 18.4 mt -98.22 150.36 36.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 61.9 5.76 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.45 110.99 3.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.24 124.36 42.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -165.27 113.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.3 -63.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -47.92 162.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.71 133.35 43.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 53.74 90.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 110.293 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 83' ' ' LEU . 4.2 mm? -61.85 160.11 30.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 129.39 12.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 t80 63.26 94.32 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 141.75 40.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.34 -74.28 0.42 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.48 126.73 52.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -89.48 -56.33 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.27 79.41 0.21 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.53 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.4 pp -118.45 -40.94 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -38.0 -36.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.94 110.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.36 -44.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.39 -59.56 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.53 ' CE2' ' HB ' ' A' ' 91' ' ' ILE . 41.8 t80 -46.21 -54.97 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.528 HG23 ' OH ' ' A' ' 31' ' ' TYR . 3.5 mt -55.12 -61.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -43.3 -57.63 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.54 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -51.1 71.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -39.68 -66.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.2 -44.52 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.36 -67.98 1.21 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.434 1.084 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.754 HD22 ' CD1' ' A' ' 56' ' ' PHE . 49.7 mt -49.47 -62.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.431 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.1 tt0 -39.09 -53.01 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -53.81 53.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.3 t80 -49.5 -59.01 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.752 HD12 HG21 ' A' ' 111' ' ' ILE . 6.1 tp -60.21 -40.07 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.01 -45.19 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.86 -40.24 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.752 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -57.22 -42.4 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.766 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -61.01 -61.26 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.23 -34.65 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 115' ' ' PRO . 5.3 t-80 -54.33 131.28 61.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.753 . . . . 0.0 109.643 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.3 Cg_endo -75.01 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mt -59.44 -41.81 90.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -68.08 -50.89 52.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.66 ' O ' HD12 ' A' ' 41' ' ' ILE . 66.7 mt-30 -42.7 -27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.93 -41.88 10.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ALA . 30.0 mm-40 -42.05 148.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.95 -47.55 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.403 ' CB ' ' HG2' ' A' ' 62' ' ' GLU . 1.9 p -42.76 -42.53 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 tp -64.19 -57.27 10.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' LEU . 26.6 m-70 -45.67 -42.88 12.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.51 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -69.69 -40.6 76.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.658 ' HA ' HD11 ' A' ' 132' ' ' ILE . 50.8 t80 -52.26 -24.36 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 124' ' ' HIS . 3.9 mt -122.05 155.76 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 77.02 -54.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.256 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.3 105.97 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -47.13 -60.07 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -105.41 129.06 53.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.658 HD11 ' HA ' ' A' ' 126' ' ' PHE . 49.8 mt -81.57 115.85 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -75.88 77.44 2.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -40.0 152.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 57.78 45.72 18.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -69.52 177.32 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.28 122.66 40.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.13 2.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -79.46 -119.57 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -64.73 145.82 55.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.7 m 63.87 86.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 149.02 89.95 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.431 1.082 . . . . 0.0 111.068 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 61.12 5.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.02 94.82 5.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.3 t -117.27 -58.41 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.422 ' HB2' HD21 ' A' ' 39' ' ' LEU . 3.5 p-10 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 32.1 p90 -155.38 124.43 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.782 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.2 tp -122.73 110.29 15.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -143.74 154.75 43.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.551 HD13 ' CG1' ' A' ' 108' ' ' ILE . 3.1 mt -124.87 148.31 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.528 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 4.4 m-20 -113.32 146.15 39.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 31' ' ' TYR . 4.3 mm -130.15 101.9 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -152.22 -175.16 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 10.5 t-20 65.17 63.83 1.07 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.4 Cg_endo -74.98 108.58 2.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -107.04 134.25 50.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.8 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.495 ' HB3' HG23 ' A' ' 15' ' ' ILE . 65.9 m-85 -147.32 142.89 27.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.989 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.55 101.6 9.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 t -83.75 95.35 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -106.55 108.16 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.59 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.1 tmm? -98.55 154.81 17.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' SD ' ' A' ' 35' ' ' MET . 10.1 mtp180 -150.54 114.18 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.54 ' HB ' HD12 ' A' ' 11' ' ' LEU . 10.8 t -137.61 176.9 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.79 10.86 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.9 mt -79.79 155.42 75.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -75.0 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.773 HD11 ' CE1' ' A' ' 42' ' ' PHE . 6.8 pt -38.9 -43.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.773 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.5 m-85 -84.47 127.36 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -47.82 71.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 mt -94.35 145.32 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -82.93 -34.72 26.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HG3' ' CG ' ' A' ' 36' ' ' ARG . 2.0 tm-20 -147.82 142.49 26.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 7.9 p -156.8 147.06 21.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.6 p -121.47 128.5 52.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.321 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.732 HG21 ' O ' ' A' ' 127' ' ' LEU . 31.2 m -141.86 160.59 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -102.63 134.36 46.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 10.3 tpp180 -156.05 158.78 38.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -125.14 179.88 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.655 ' HD1' HD21 ' A' ' 104' ' ' LEU . 79.3 t80 -63.89 -54.57 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.99 -34.8 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 5.7 m-20 -65.38 -53.55 41.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CE1' ' CZ ' ' A' ' 126' ' ' PHE . 18.7 m-85 -49.5 -30.57 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -22.16 66.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -84.91 -36.7 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.635 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -72.15 -58.34 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.648 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.4 tttm -43.63 -53.55 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -53.81 -45.42 70.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.66 -22.13 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.888 HD13 HD11 ' A' ' 111' ' ' ILE . 6.4 mt -92.27 -27.56 17.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.356 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.7 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.3 t -102.67 101.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 4.9 t -97.45 137.58 21.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.02 161.43 38.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.08 37.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 12.1 mt -88.84 140.09 29.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -74.98 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.8 m -43.31 -59.19 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -64.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mt -47.26 -47.1 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -56.8 -52.53 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.68 -60.46 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -57.34 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -41.91 -49.64 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -72.7 -53.24 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -41.49 -69.34 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.655 HD21 ' HD1' ' A' ' 53' ' ' TYR . 27.7 mt -43.18 -60.53 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.405 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.8 tt0 -39.95 -48.3 2.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.17 -50.93 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.546 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.2 t80 -51.36 -53.56 35.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.696 HD12 HG21 ' A' ' 111' ' ' ILE . 4.2 tp -65.07 -43.6 95.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.97 -36.92 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.19 -43.25 12.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.888 HD11 HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -54.99 -46.48 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.782 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.06 -40.95 70.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.63 -40.76 80.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.474 ' CE1' ' HG ' ' A' ' 116' ' ' LEU . 5.9 t-80 -49.36 132.59 17.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.778 . . . . 0.0 109.62 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 116' ' ' LEU . 4.9 mt -59.68 -26.55 65.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.75 -41.57 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.733 ' O ' HD12 ' A' ' 41' ' ' ILE . 65.0 mt-30 -53.36 -22.89 8.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -91.86 -35.57 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -49.17 141.64 8.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -44.81 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.1 p -45.23 -44.1 10.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 108.279 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.3 tp -50.29 -60.27 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.556 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 95.3 m-70 -54.17 -51.3 64.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.406 ' SD ' HG23 ' A' ' 132' ' ' ILE . 1.2 ttm -51.6 -34.48 37.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.651 ' CZ ' ' CE1' ' A' ' 56' ' ' PHE . 27.4 t80 -79.64 -10.84 59.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.732 ' O ' HG21 ' A' ' 49' ' ' VAL . 28.2 mt -107.86 -90.82 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.489 ' O ' HG11 ' A' ' 49' ' ' VAL . 74.1 mt-30 -38.9 -63.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.96 138.68 57.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.444 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -87.03 -42.65 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.255 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -112.87 125.1 53.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.406 HG23 ' SD ' ' A' ' 125' ' ' MET . 63.7 mt -77.73 147.46 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 134' ' ' ARG . 2.7 m-20 -117.97 83.0 1.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 133' ' ' ASP . 6.4 mtm180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.645 ' HB3' HD21 ' A' ' 39' ' ' LEU . 20.3 m-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 5.6 p90 -155.89 132.2 10.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.669 HD21 ' HB1' ' A' ' 112' ' ' ALA . 5.5 tp -127.88 107.88 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -134.93 160.35 38.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.72 140.23 46.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.03 142.06 46.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mt -135.89 101.3 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -152.14 -175.12 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 66.98 68.38 0.57 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.4 Cg_endo -75.0 132.42 15.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -138.96 132.69 30.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 51.7 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.581 HG21 ' HG3' ' A' ' 50' ' ' ARG . 39.1 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.446 ' CD1' ' HG3' ' A' ' 101' ' ' ARG . 39.2 m-85 -148.28 145.52 28.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.04 100.41 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 51' ' ' ARG . 9.9 t -85.89 92.01 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -102.76 100.76 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.42 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tmm? -93.26 153.38 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -148.2 115.3 6.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.619 ' HB ' HD12 ' A' ' 11' ' ' LEU . 10.9 t -135.79 161.4 35.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.428 ' ND2' ' CD2' ' A' ' 10' ' ' PHE . 1.6 p30 -123.16 27.98 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 9' ' ' ASN . 25.2 mt -104.18 153.43 38.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.01 -37.57 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.756 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.1 pt -37.72 -44.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.756 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.4 m-85 -82.83 130.99 35.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -67.95 -50.21 57.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.18 148.65 22.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -39.86 15.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -148.2 142.78 26.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 t -156.43 170.09 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.7 p -135.63 128.21 30.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.308 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.6 m -143.37 171.67 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.581 ' HG3' HG21 ' A' ' 30' ' ' THR . 0.0 OUTLIER -108.98 112.16 24.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.685 ' NH1' HD12 ' A' ' 132' ' ' ILE . 16.6 mmt180 -121.67 128.39 51.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -97.07 159.37 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.501 ' CG ' ' HD3' ' A' ' 100' ' ' ARG . 39.9 t80 -54.09 -19.62 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -81.2 -49.07 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -46.57 -40.94 13.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CG ' HD22 ' A' ' 104' ' ' LEU . 38.9 m-85 -63.04 -44.15 96.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.94 -21.62 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 13.1 t90 -87.29 -37.95 16.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -55.14 22.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -49.89 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -44.14 -51.66 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.5 mm-40 -39.84 -35.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.528 ' CD1' HD11 ' A' ' 111' ' ' ILE . 37.1 mt -82.38 -51.92 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.329 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.462 HG12 ' CB ' ' A' ' 116' ' ' LEU . 6.8 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.2 t -108.02 101.57 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' A' ' 63' ' ' LEU . 13.2 t -84.43 138.4 38.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.95 164.55 33.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.84 30.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.7 mt -86.53 149.58 49.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 96.62 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.5 t -53.73 -57.26 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -48.95 -54.6 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.6 mt -49.04 -68.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -40.99 -51.57 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.35 -59.32 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.501 ' HD3' ' CG ' ' A' ' 53' ' ' TYR . 8.1 ttm180 -64.59 -45.52 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.446 ' HG3' ' CD1' ' A' ' 31' ' ' TYR . 6.7 ttp180 -53.25 -64.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -55.64 -41.38 73.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.76 -57.09 10.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.663 HD22 ' CG ' ' A' ' 56' ' ' PHE . 48.2 mt -53.51 -58.13 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.744 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 108' ' ' ILE . 1.1 tt0 -40.23 -47.73 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -59.8 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 9.1 t80 -43.05 -57.62 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.619 HD12 HG21 ' A' ' 111' ' ' ILE . 3.4 tp -61.52 -44.17 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -39.8 21.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -40.36 16.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.619 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -56.36 -48.51 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.669 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -56.89 -62.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ALA . . . -37.6 -30.79 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 112' ' ' ALA . 4.9 t-80 -57.53 131.45 81.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.3 Cg_endo -75.01 -40.35 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 116' ' ' LEU . 6.2 mt -61.64 -34.83 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.554 ' HB1' HD22 ' A' ' 123' ' ' LEU . . . -75.07 -48.59 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.571 ' O ' HD12 ' A' ' 41' ' ' ILE . 59.1 mt-30 -44.41 -26.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -90.65 -38.78 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' ALA . 38.7 mm-40 -46.77 130.33 11.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -82.64 -21.82 34.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 12.0 p -69.0 -25.9 64.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.554 HD22 ' HB1' ' A' ' 117' ' ' ALA . 9.3 tp -79.2 -59.8 2.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 123' ' ' LEU . 27.9 m-70 -39.57 -54.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.42 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.8 OUTLIER -46.37 -55.4 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.823 ' HA ' HD11 ' A' ' 132' ' ' ILE . 33.2 t80 -40.56 -32.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.42 154.7 20.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 77.34 -54.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.07 111.5 11.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -50.19 -49.81 51.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.239 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -114.55 139.15 49.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.823 HD11 ' HA ' ' A' ' 126' ' ' PHE . 4.8 mt -88.66 118.86 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -78.5 105.5 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 132' ' ' ILE . 21.9 mtt85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.646 ' HB2' HD21 ' A' ' 39' ' ' LEU . 7.4 p30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 4.5 p90 -150.77 122.72 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.74 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.7 tp -122.06 105.63 10.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -134.03 160.98 36.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.476 HD13 ' CG1' ' A' ' 108' ' ' ILE . 2.9 mt -133.3 149.17 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -118.72 140.86 49.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mt -135.69 103.73 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.86 -176.67 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 68.78 65.08 0.55 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.46 125.78 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 2.7 m-85 -134.26 162.38 32.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.27 100.63 11.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.4 t -82.91 93.52 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.2 114.49 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.503 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.7 tmm? -106.41 153.64 21.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -145.52 113.71 6.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.608 ' HB ' HD12 ' A' ' 11' ' ' LEU . 13.6 t -136.34 167.04 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.435 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -130.18 21.51 5.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 9' ' ' ASN . 22.1 mt -96.88 153.23 38.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.02 -37.94 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.727 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.2 pt -37.66 -43.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.727 ' CE1' HD11 ' A' ' 41' ' ' ILE . 77.3 m-85 -80.9 138.18 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -53.08 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.622 HD12 ' HB3' ' A' ' 128' ' ' GLN . 12.9 mt -97.14 151.84 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -87.56 -34.83 18.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -155.67 142.89 19.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 19.4 t -156.67 166.28 33.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.5 p -133.87 123.47 24.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.44 179.26 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.99 136.01 38.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -155.87 166.67 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' CZ ' ' CB ' ' A' ' 52' ' ' ARG . 4.4 mtp-105 -99.68 151.85 20.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' ASP . 8.5 t80 -41.43 -53.97 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' TYR . 4.0 m -37.45 -32.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' TYR . 67.1 t0 -51.93 -59.34 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.842 ' CD2' HD22 ' A' ' 104' ' ' LEU . 51.9 m-85 -47.07 -45.8 22.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.8 -43.8 73.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -69.69 -25.12 63.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 107.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.787 HD11 HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -78.12 -60.15 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.56 ' HA ' HD12 ' A' ' 63' ' ' LEU . 30.8 tttm -43.13 -63.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' GLU . 37.4 t30 -43.07 -56.43 3.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -47.14 -34.3 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.826 HD13 HD11 ' A' ' 111' ' ' ILE . 14.0 mt -77.44 -33.15 54.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' ASN . 15.8 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.457 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.6 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -104.5 100.72 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.3 t -98.18 136.23 21.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.97 165.62 30.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 148.34 34.86 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 18.6 mt -93.38 144.14 27.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -74.97 63.7 5.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.759 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.58 -33.97 13.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.68 -52.61 24.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.4 mt -53.84 -49.28 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -50.88 64.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -39.81 14.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -78.52 -50.47 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -38.88 -65.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.05 -48.43 76.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -38.4 -58.2 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.842 HD22 ' CD2' ' A' ' 56' ' ' PHE . 79.3 mt -59.18 -57.12 14.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.16 -48.07 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.92 -52.79 62.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.555 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -49.48 -56.54 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.774 HD12 HG21 ' A' ' 111' ' ' ILE . 4.5 tp -61.83 -50.6 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.453 ' N ' HG23 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -42.54 -38.48 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.14 -41.72 13.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.826 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -55.16 -50.12 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.74 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -50.48 -54.01 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.7 -37.65 2.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -54.84 132.15 66.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 109.632 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -47.48 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.486 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.4 mt -52.99 -36.66 60.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.3 -45.43 55.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.627 ' O ' HD12 ' A' ' 41' ' ' ILE . 62.9 mt-30 -51.99 -21.7 3.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -92.09 -34.98 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -51.53 142.22 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -83.28 -45.75 13.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 22.8 p -44.28 -41.24 5.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.28 -55.37 29.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 127' ' ' LEU . 82.3 m-70 -46.48 -38.7 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.409 ' C ' ' N ' ' A' ' 127' ' ' LEU . 1.3 ttm -67.88 -54.32 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.478 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 36.6 t80 -41.89 -27.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 124' ' ' HIS . 3.2 mt -115.97 155.96 27.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.622 ' HB3' HD12 ' A' ' 44' ' ' LEU . 26.6 mt-30 75.12 -55.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.31 136.35 42.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -71.27 -73.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -95.3 138.8 32.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' A' ' 126' ' ' PHE . 26.7 mt -88.3 139.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -97.74 126.66 43.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.649 ' HB2' HD21 ' A' ' 39' ' ' LEU . 2.6 p-10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.546 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 22.2 p90 -151.01 129.4 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.669 HD12 ' HB ' ' A' ' 37' ' ' THR . 5.4 tp -124.4 106.15 9.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -132.31 164.11 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.1 mt -135.83 157.72 38.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.66 132.45 49.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.68 98.73 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -152.4 -175.2 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t30 67.41 71.71 0.41 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 141.3 26.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -137.68 117.79 13.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -111.49 159.11 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.99 104.63 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.8 t -84.47 95.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -107.09 118.62 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.673 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.6 ttp -114.71 142.45 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -137.48 148.87 46.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.719 HG21 ' CD1' ' A' ' 42' ' ' PHE . 5.4 t -171.43 163.89 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.86 12.06 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 9' ' ' ASN . 28.2 mt -82.71 155.35 68.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.02 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.773 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.1 pt -38.02 -45.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.773 ' CE1' HD11 ' A' ' 41' ' ' ILE . 85.1 m-85 -83.42 127.09 33.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -71.4 -41.53 69.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.96 140.77 31.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -77.02 -30.11 55.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.23 144.45 19.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 p -153.59 147.76 25.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 p -124.44 132.03 53.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 108.307 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.4 m -142.71 175.52 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -124.32 122.65 38.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.727 ' NH2' HD12 ' A' ' 132' ' ' ILE . 23.9 mmm180 -146.18 142.49 28.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.06 179.45 6.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.483 ' HD1' HD11 ' A' ' 104' ' ' LEU . 8.6 t80 -71.04 -29.96 66.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -34.72 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.595 ' OD2' ' CE1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -46.29 -55.76 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.773 ' CD2' HD22 ' A' ' 104' ' ' LEU . 58.5 m-85 -48.15 -55.47 10.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -39.71 -47.73 2.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -58.45 -64.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.667 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -44.32 -45.08 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.572 ' HA ' HD12 ' A' ' 63' ' ' LEU . 13.0 tttm -59.28 -58.24 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -52.6 -37.9 59.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.58 -16.7 40.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.664 HD13 HD11 ' A' ' 111' ' ' ILE . 5.8 mt -98.35 -24.81 15.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.556 HG23 ' CE1' ' A' ' 114' ' ' HIS . 7.5 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.4 t -96.0 100.47 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 38.8 t -86.93 136.66 33.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 157.74 42.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.442 1.759 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.72 31.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -86.54 147.6 44.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 70.14 5.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.59 -60.85 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.34 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.1 mt -48.99 -46.28 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.97 -49.46 76.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -57.36 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -62.82 -34.77 78.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -57.86 -56.51 20.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.263 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -66.44 -50.89 61.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.46 -64.85 1.46 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.773 HD22 ' CD2' ' A' ' 56' ' ' PHE . 55.3 mt -48.53 -56.33 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.88 -44.0 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -54.86 23.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.5 t80 -44.99 -56.22 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.54 HD12 HG21 ' A' ' 111' ' ' ILE . 3.9 tp -63.98 -47.32 91.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.05 -38.2 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.98 -41.98 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.664 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -56.6 -50.84 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.586 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.15 -58.36 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.5 -40.39 0.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.556 ' CE1' HG23 ' A' ' 69' ' ' ILE . 5.6 t-80 -51.01 131.52 30.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.601 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.1 Cg_endo -75.01 -44.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' A' ' 69' ' ' ILE . 8.8 mt -58.57 -33.51 70.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.96 -41.81 61.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.656 ' O ' HD12 ' A' ' 41' ' ' ILE . 70.2 mt-30 -55.73 -19.5 11.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -91.46 -35.91 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -49.36 137.2 14.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -84.56 -19.84 32.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -55.67 19.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 108.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -51.44 -60.96 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -39.63 -33.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.841 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.4 OUTLIER -69.27 -62.81 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.812 ' HA ' HD11 ' A' ' 132' ' ' ILE . 2.5 t80 -36.47 -31.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.673 HD13 ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -110.46 160.23 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 127' ' ' LEU . 77.1 mt-30 73.4 -56.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.32 118.34 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.43 -49.03 73.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -123.06 129.09 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.841 HG23 ' SD ' ' A' ' 125' ' ' MET . 57.8 mt -74.89 126.64 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' ARG . 56.1 m-20 -91.92 82.22 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 133' ' ' ASP . 8.1 mtm180 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.635 ' HB3' HD21 ' A' ' 39' ' ' LEU . 7.1 m-80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 17.0 p90 -151.76 122.37 7.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.814 HD21 ' HB1' ' A' ' 112' ' ' ALA . 3.9 tp -124.75 106.64 10.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -130.97 163.32 27.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.484 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.2 mt -134.01 159.89 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 2.6 m-20 -130.8 146.94 52.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.506 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.2 mt -137.01 101.54 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 32' ' ' GLU . 47.4 p90 -152.28 -172.73 4.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.469 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.3 t-20 64.79 61.31 1.33 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -74.96 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -96.62 134.85 39.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 72.8 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.506 ' HB3' HG23 ' A' ' 15' ' ' ILE . 78.3 m-85 -149.69 135.86 18.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 3.2 mp0 -77.4 104.35 7.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 t -84.21 98.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -108.55 118.96 38.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.913 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.0 ttp -114.21 142.55 46.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.5 ptt180 -132.52 149.93 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.616 ' HB ' HD12 ' A' ' 11' ' ' LEU . 3.4 t -173.82 168.81 4.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -129.98 13.63 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 9' ' ' ASN . 21.9 mt -84.03 156.74 63.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.0 -38.28 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.78 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.776 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.1 pt -38.62 -44.9 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.776 ' CE1' HD11 ' A' ' 41' ' ' ILE . 83.0 m-85 -84.31 133.14 34.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.78 -50.67 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.82 135.12 33.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -72.16 -29.18 63.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -164.71 142.05 6.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -156.83 164.49 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.79 147.71 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.55 HG11 ' O ' ' A' ' 127' ' ' LEU . 26.2 m -148.7 163.87 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -122.9 116.87 24.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -147.83 143.27 27.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.417 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -70.05 156.58 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.283 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.464 ' HD1' HD21 ' A' ' 104' ' ' LEU . 2.7 t80 -47.04 -39.56 13.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -19.58 5.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' CE2' ' A' ' 126' ' ' PHE . 5.5 p-10 -62.81 -37.13 85.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.722 ' CD2' HD22 ' A' ' 104' ' ' LEU . 41.3 m-85 -69.86 -34.57 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 5.4 mt-10 -67.01 -21.63 65.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' HD13 ' A' ' 132' ' ' ILE . 33.3 t90 -87.66 -44.87 10.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.597 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.09 -52.36 64.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -51.63 -68.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.15 -44.13 7.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.43 ' CG ' ' SG ' ' A' ' 122' ' ' CYS . 0.0 OUTLIER -45.13 -34.28 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.515 ' CD1' HD11 ' A' ' 111' ' ' ILE . 27.1 mt -77.2 -55.52 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.527 HG23 ' CE1' ' A' ' 114' ' ' HIS . 16.0 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.9 t -85.97 101.24 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 20.8 t -99.27 138.47 20.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.5 Cg_endo -74.99 164.82 32.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.798 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 145.66 31.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 29.1 mt -85.53 151.26 55.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 61.87 5.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -52.37 19.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLU . 47.4 t80 -49.15 -67.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.8 mt -40.82 -55.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -45.34 -43.56 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -54.76 -65.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -57.38 -51.75 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -66.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.73 -48.35 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -47.09 -51.13 14.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.552 1.158 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.722 HD22 ' CD2' ' A' ' 56' ' ' PHE . 88.9 mt -62.79 -54.47 38.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -50.18 26.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -60.97 -53.79 52.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.0 t80 -45.58 -57.99 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.687 HD12 HG21 ' A' ' 111' ' ' ILE . 3.5 tp -63.24 -48.85 85.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.422 ' N ' HG23 ' A' ' 108' ' ' ILE . 1.1 m-80 -43.1 -35.69 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.71 -43.04 10.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.687 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -54.31 -48.68 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.814 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -54.78 -57.68 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.02 -36.79 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.527 ' CE1' HG23 ' A' ' 69' ' ' ILE . 5.0 t-80 -47.99 133.81 11.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.26 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 116' ' ' LEU . 7.2 mt -63.07 -28.4 70.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.13 -47.21 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.696 ' O ' HD12 ' A' ' 41' ' ' ILE . 70.5 mt-30 -49.05 -23.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.48 -42.57 12.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -54.56 129.33 35.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -81.32 -25.27 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.43 ' SG ' ' CG ' ' A' ' 62' ' ' GLU . 26.3 p -59.66 -24.25 63.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.86 -48.87 42.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.59 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 41.3 m-70 -60.04 -52.91 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.61 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.423 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 1.1 ttm -49.94 -33.23 16.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.597 ' CD1' HD22 ' A' ' 59' ' ' LEU . 32.9 t80 -77.96 -16.14 58.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.913 HD13 ' SD ' ' A' ' 35' ' ' MET . 36.9 mt -103.19 -93.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 127' ' ' LEU . 74.6 mt-30 -36.23 -67.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.46 142.02 53.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.12 -72.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.04 124.16 30.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.556 HD13 ' CZ3' ' A' ' 58' ' ' TRP . 26.6 mt -74.48 115.41 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 134' ' ' ARG . 39.2 t70 -79.35 80.49 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 133' ' ' ASP . 4.6 mtt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.28 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.603 ' HB2' HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.4 p90 -154.79 124.21 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.703 HD21 ' HB1' ' A' ' 112' ' ' ALA . 7.0 tp -127.98 105.17 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -130.99 159.93 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.466 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.1 mt -135.98 132.76 50.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -103.51 141.89 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.3 mt -128.91 101.47 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -151.85 -174.9 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.7 m-20 63.46 64.0 1.46 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.1 Cg_endo -74.98 117.45 4.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.46 142.09 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 51.9 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.657 ' HB3' HG23 ' A' ' 15' ' ' ILE . 81.7 m-85 -150.51 136.77 18.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.96 101.14 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.605 HG21 ' HB2' ' A' ' 51' ' ' ARG . 6.4 t -81.17 104.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -108.34 100.04 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.546 ' SD ' HD13 ' A' ' 127' ' ' LEU . 5.4 ttp -94.95 144.31 25.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.2 ttt180 -143.13 139.62 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.543 HG21 ' CD1' ' A' ' 42' ' ' PHE . 5.8 t -166.68 169.44 13.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -124.38 8.86 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 9' ' ' ASN . 21.8 mt -74.93 152.95 86.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.03 -37.73 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.425 1.75 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.784 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.3 pt -37.98 -44.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.784 ' CE1' HD11 ' A' ' 41' ' ' ILE . 82.5 m-85 -83.26 139.85 32.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -80.06 -41.13 26.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mt -103.29 146.73 28.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -82.83 -34.8 26.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.7 148.29 34.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.4 p -156.43 159.79 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.7 m -136.02 117.23 14.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.2 m -139.13 160.51 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.26 121.95 43.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.605 ' HB2' HG21 ' A' ' 33' ' ' VAL . 2.0 mmt85 -125.38 138.43 54.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -90.12 160.66 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.514 ' CG ' ' HD3' ' A' ' 100' ' ' ARG . 10.0 t80 -60.78 -27.87 68.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -41.64 23.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.442 ' CB ' ' HD3' ' A' ' 51' ' ' ARG . 76.8 m-20 -45.01 -41.12 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CD2' HD22 ' A' ' 104' ' ' LEU . 41.7 m-85 -62.31 -41.22 98.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -55.54 -24.94 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -79.68 -45.17 19.48 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.692 HD11 HD11 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -65.77 -54.94 20.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.409 ' CG ' HG11 ' A' ' 71' ' ' VAL . 2.5 tttm -41.74 -51.43 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' GLU . 51.0 t30 -60.32 -49.18 78.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.91 -24.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.899 HD13 HD11 ' A' ' 111' ' ' ILE . 9.9 mt -90.3 -32.2 16.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 61' ' ' ASN . 3.1 mm-40 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.528 HG12 HD12 ' A' ' 116' ' ' LEU . 4.8 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.0 t -102.81 114.72 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.3 t -107.4 138.11 19.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.99 162.41 37.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.18 31.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 18.7 mt -78.9 144.87 64.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 97.66 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.47 1.774 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.32 -51.8 24.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.11 -54.68 27.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.9 mt -58.13 -61.08 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -53.57 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.27 -58.42 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' HD3' ' CG ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -63.84 -49.95 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -41.83 -69.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -59.15 -46.82 87.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -44.81 -68.16 0.99 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 111.006 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.558 HD22 ' CD2' ' A' ' 56' ' ' PHE . 43.8 mt -48.33 -46.66 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.41 -55.74 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -45.85 84.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.558 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.0 t80 -54.62 -59.56 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.779 HD12 HG21 ' A' ' 111' ' ' ILE . 4.3 tp -61.99 -41.54 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.92 -42.61 37.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -40.52 19.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.899 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -55.33 -50.59 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.703 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -52.84 -49.65 65.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -48.96 -22.19 2.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 115' ' ' PRO . 7.9 t-80 -69.89 135.06 87.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.4 Cg_endo -74.97 -53.67 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.528 HD12 HG12 ' A' ' 69' ' ' ILE . 8.3 mt -47.45 -40.9 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.31 59.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.51 ' O ' HD12 ' A' ' 41' ' ' ILE . 50.9 mt-30 -52.38 -27.27 15.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -35.45 18.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -56.42 145.39 27.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -85.17 -32.03 22.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 123' ' ' LEU . 22.5 p -54.13 -43.19 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.42 ' N ' ' SG ' ' A' ' 122' ' ' CYS . 7.8 tp -65.4 -61.61 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -41.74 -54.86 3.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.577 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.7 OUTLIER -52.62 -53.02 52.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.057 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.577 ' CG ' HD22 ' A' ' 59' ' ' LEU . 28.8 t80 -44.16 -26.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.546 HD13 ' SD ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -114.04 160.15 19.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 72.25 -56.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -72.53 118.35 15.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -46.39 -59.26 3.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -116.07 171.21 7.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.577 HG23 ' SD ' ' A' ' 125' ' ' MET . 33.8 mt -108.99 146.71 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' ARG . 0.9 OUTLIER -107.13 81.75 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 133' ' ' ASP . 5.8 mtm180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.761 ' HB3' HD21 ' A' ' 39' ' ' LEU . 5.0 m120 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.2 p90 -158.14 125.12 4.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.785 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.5 tp -127.62 109.03 11.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -134.0 161.03 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.2 mt -136.38 151.96 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.13 146.18 47.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.412 ' N ' ' HG3' ' A' ' 105' ' ' GLU . 1.7 mt -138.43 101.48 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -151.98 -173.88 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t30 70.3 65.48 0.45 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 103.06 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -113.65 138.32 50.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.546 HG22 ' HG2' ' A' ' 52' ' ' ARG . 1.1 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -93.04 150.57 20.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.78 115.94 17.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 t -97.38 115.68 37.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.77 100.99 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.722 ' SD ' HD13 ' A' ' 127' ' ' LEU . 5.0 ttp -97.38 143.89 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.0 OUTLIER -139.16 144.27 38.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.638 ' HB ' HD12 ' A' ' 11' ' ' LEU . 3.3 t -173.69 161.9 3.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -123.3 14.22 9.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.761 HD21 ' HB3' ' A' ' 9' ' ' ASN . 22.8 mt -81.34 154.74 71.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.04 -37.63 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.754 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.4 pt -38.17 -44.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.754 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.7 m-85 -83.16 135.23 34.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -74.76 -47.71 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mt -95.01 139.53 31.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -79.91 -27.79 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -161.45 142.29 11.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.23 170.7 21.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.509 ' O ' HG13 ' A' ' 49' ' ' VAL . 18.9 p -128.26 132.41 48.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 48' ' ' CYS . 28.8 m -156.23 168.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -129.27 144.58 51.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.661 ' HE ' HD11 ' A' ' 132' ' ' ILE . 42.3 mmt-85 -139.89 168.07 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.546 ' HG2' HG22 ' A' ' 30' ' ' THR . 14.4 mtm105 -120.37 157.52 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -49.2 -26.65 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.76 -47.39 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.58 -46.65 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.599 ' CG ' HD22 ' A' ' 104' ' ' LEU . 29.6 m-85 -55.25 -40.95 71.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -59.92 -39.49 85.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.451 ' C ' ' CE3' ' A' ' 58' ' ' TRP . 5.0 t90 -70.48 -24.81 62.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 107.955 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -80.03 -57.02 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 63' ' ' LEU . 21.6 tttm -50.73 -62.56 1.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -47.58 -37.81 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.39 -33.83 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.341 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.953 HD13 HD11 ' A' ' 111' ' ' ILE . 1.3 mt -85.88 -13.06 49.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.469 HG12 ' CB ' ' A' ' 116' ' ' LEU . 5.3 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.7 t -103.89 101.57 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.468 HG21 ' HB2' ' A' ' 63' ' ' LEU . 6.0 t -90.99 137.56 26.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -74.98 158.82 42.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.8 39.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 56' ' ' PHE . 17.8 mt -88.29 146.94 39.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.18 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -49.99 -58.18 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -46.46 -51.54 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.26 -60.05 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -51.9 60.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.77 -59.6 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -60.48 -52.56 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -63.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.64 -45.94 81.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.06 -64.1 3.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.599 HD22 ' CG ' ' A' ' 56' ' ' PHE . 79.8 mt -47.31 -56.87 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 1.4 tt0 -44.55 -42.77 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -54.74 18.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.6 t80 -43.24 -58.7 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.722 HD12 HG21 ' A' ' 111' ' ' ILE . 4.1 tp -61.86 -49.14 85.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' CG2' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -43.09 -35.28 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -91.11 -43.89 9.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.953 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -54.14 -43.77 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.785 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -61.18 -44.57 97.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.89 -33.43 50.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.52 132.76 77.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.591 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -45.44 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.523 1.802 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.469 ' CB ' HG12 ' A' ' 69' ' ' ILE . 8.5 mt -57.41 -31.75 66.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.2 -44.91 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 41' ' ' ILE . 68.5 mt-30 -53.11 -25.65 13.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.57 -33.07 17.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -57.7 136.46 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -21.45 29.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 17.5 p -65.82 -40.81 92.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.95 -61.42 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 125' ' ' MET . 74.6 m-70 -39.57 -58.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 124' ' ' HIS . 1.0 OUTLIER -37.45 -58.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.609 ' HA ' HD11 ' A' ' 132' ' ' ILE . 26.4 t80 -38.13 -34.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.722 HD13 ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -112.45 164.46 13.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 71.41 -56.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.352 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 126.6 28.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.34 -51.98 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -134.66 -175.56 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.661 HD11 ' HE ' ' A' ' 51' ' ' ARG . 16.3 mm -95.08 110.4 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -84.69 113.01 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 41.5 p90 -150.71 129.62 12.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.558 1.161 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.666 HD12 ' HB ' ' A' ' 37' ' ' THR . 2.8 tp -127.78 108.68 10.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.7 164.17 27.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -137.27 158.24 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -133.9 142.46 47.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mt -139.29 99.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -152.39 -174.24 4.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 7.3 t30 69.88 64.16 0.5 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.3 Cg_endo -74.98 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.66 131.55 55.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.408 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.455 HG21 ' CD ' ' A' ' 50' ' ' ARG . 1.4 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -150.56 142.13 23.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.96 94.52 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.416 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 45.2 t -77.65 91.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -109.96 128.85 55.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.703 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.1 tmm? -117.98 153.44 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 7.4 ptm180 -139.65 120.03 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.666 ' HB ' HD12 ' A' ' 11' ' ' LEU . 7.0 t -148.5 165.68 30.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -129.38 12.22 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.0 mt -82.93 154.69 67.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -37.3 2.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.857 HD12 ' O ' ' A' ' 118' ' ' GLN . 7.8 pt -38.91 -44.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' A' ' 41' ' ' ILE . 78.4 m-85 -82.41 129.09 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -47.87 55.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mt -92.25 149.61 21.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -90.02 -39.85 12.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.09 134.81 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -156.76 168.32 27.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.9 p -136.21 153.37 51.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 108.289 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.646 HG11 ' O ' ' A' ' 127' ' ' LEU . 31.9 m -152.3 164.77 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.455 ' CD ' HG21 ' A' ' 30' ' ' THR . 15.2 ttt180 -115.35 115.96 27.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.401 ' NE ' ' OD2' ' A' ' 55' ' ' ASP . 21.1 mmm180 -147.44 161.83 40.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -102.23 179.16 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.96 -38.89 92.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -36.61 47.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.402 ' CG ' ' CE1' ' A' ' 126' ' ' PHE . 42.1 t0 -49.45 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.856 ' CG ' HD22 ' A' ' 104' ' ' LEU . 89.1 m-85 -37.98 -50.65 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.65 -49.13 38.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 75.3 t90 -58.79 -55.77 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -51.94 -52.49 49.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.615 ' HD3' HD12 ' A' ' 74' ' ' LEU . 8.4 tttm -49.45 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 64' ' ' GLU . 6.0 t-20 -45.95 -47.83 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -40.96 -30.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.503 ' CD1' HD11 ' A' ' 111' ' ' ILE . 33.0 mt -81.2 -48.03 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.2 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 114' ' ' HIS . 9.6 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -94.33 100.97 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 20.5 t -90.64 137.46 27.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.04 162.57 36.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.96 29.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.615 HD12 ' HD3' ' A' ' 60' ' ' LYS . 11.4 mt -93.55 148.8 36.14 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.4 Cg_endo -75.0 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -52.2 65.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -49.75 -53.58 24.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.7 mt -54.94 -63.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -42.9 -54.04 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.69 -58.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -65.72 -48.3 72.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -40.86 -66.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.45 -47.63 81.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.16 -57.28 2.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.856 HD22 ' CG ' ' A' ' 56' ' ' PHE . 20.9 mt -56.78 -60.68 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.8 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.08 -47.77 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.51 -49.82 76.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.565 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.0 t80 -56.62 -57.54 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.521 HD12 HG21 ' A' ' 111' ' ' ILE . 9.4 tp -59.29 -37.21 67.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' A' ' 112' ' ' ALA . 0.6 OUTLIER -52.6 -59.53 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -62.26 -50.95 69.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.521 HG21 HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -51.0 -37.01 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -60.72 -60.51 3.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.28 -35.62 1.88 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.574 ' CE1' HG23 ' A' ' 69' ' ' ILE . 5.5 t-80 -46.5 131.65 8.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.39 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.1 mt -62.09 -33.74 75.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' ' 114' ' ' HIS . . . -76.76 -45.52 28.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.857 ' O ' HD12 ' A' ' 41' ' ' ILE . 39.0 mt-30 -46.68 -24.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.21 -42.19 11.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -46.87 136.05 8.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.79 -27.06 22.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 30.1 p -60.09 -20.7 59.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.334 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.99 -54.73 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.687 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 94.8 m-70 -56.79 -52.66 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.405 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.4 OUTLIER -47.06 -42.42 18.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.534 ' CD2' HD22 ' A' ' 59' ' ' LEU . 18.0 t80 -69.21 -21.92 63.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.646 ' O ' HG11 ' A' ' 49' ' ' VAL . 58.9 mt -95.54 -92.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 127' ' ' LEU . 80.5 mt-30 -37.43 -68.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.24 146.16 44.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -87.51 -67.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.07 124.79 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 126' ' ' PHE . 10.2 mt -84.11 159.27 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.43 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 21.2 t0 -124.7 128.86 49.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.441 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.77 ' HB2' HD21 ' A' ' 39' ' ' LEU . 6.9 p30 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 16.7 p90 -145.87 128.38 16.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.529 HD21 ' HB1' ' A' ' 112' ' ' ALA . 9.5 tp -126.89 105.07 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -131.18 163.5 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.484 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.75 139.7 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -109.75 140.47 43.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.5 HD13 HG22 ' A' ' 33' ' ' VAL . 1.4 mm -127.77 99.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 17' ' ' ASN . 47.5 p90 -152.73 -174.71 5.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 7.8 t-20 69.17 64.63 0.54 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.05 143.57 29.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -147.96 119.2 7.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.451 ' CD2' ' HG3' ' A' ' 101' ' ' ARG . 60.8 m-85 -115.76 155.74 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.49 106.32 17.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.5 HG22 HD13 ' A' ' 15' ' ' ILE . 35.0 t -84.09 92.61 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -98.71 101.87 13.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.6 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.9 ttp -96.45 143.33 27.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.441 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.4 OUTLIER -139.33 146.39 40.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.591 HG21 ' CD1' ' A' ' 42' ' ' PHE . 4.9 t -173.59 165.53 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -123.61 15.33 9.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.77 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.1 mt -82.16 153.9 69.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -37.75 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.761 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.76 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.4 pt -38.2 -45.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.76 ' CE1' HD11 ' A' ' 41' ' ' ILE . 83.1 m-85 -82.39 136.37 34.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -76.25 -45.97 30.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -97.65 149.05 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -82.97 -36.02 25.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -151.49 143.42 23.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 p -154.87 142.95 20.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.0 m -110.41 119.58 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.3 m -133.02 -177.2 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -131.62 119.02 20.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.525 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -131.5 126.56 35.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.5 179.69 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -74.5 -32.5 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -67.53 -37.2 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.442 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 37.4 m-20 -54.13 -52.33 61.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.697 ' CD2' HD22 ' A' ' 104' ' ' LEU . 27.0 m-85 -50.94 -45.49 60.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.93 -30.2 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.477 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 24.0 t90 -82.09 -42.85 18.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.523 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -59.95 -55.3 35.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -46.34 -64.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 64' ' ' GLU . 8.0 t30 -47.46 -48.52 26.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -43.71 -45.49 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.533 ' CD1' HD11 ' A' ' 111' ' ' ILE . 51.4 mt -64.44 -38.2 90.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' ASN . 28.7 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.0 t -81.57 103.19 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 16.7 t -108.8 138.1 20.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.525 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.08 161.79 37.98 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.13 33.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 56' ' ' PHE . 17.2 mt -87.31 148.46 44.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 114.09 3.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.019 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -25.29 65.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.48 -57.89 3.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.91 -42.11 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -56.17 24.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -59.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -52.05 67.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.451 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 18.6 ttp180 -40.5 -68.49 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -52.59 -53.57 44.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.78 -69.78 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.697 HD22 ' CD2' ' A' ' 56' ' ' PHE . 83.8 mt -47.47 -59.57 3.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.475 ' HG3' ' CG1' ' A' ' 15' ' ' ILE . 6.5 tt0 -42.03 -51.1 4.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -53.75 54.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.9 t80 -51.47 -59.45 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.645 HD12 HG21 ' A' ' 111' ' ' ILE . 5.4 tp -58.84 -40.18 79.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.81 -48.1 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -38.45 55.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.645 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -57.56 -51.84 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.529 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -53.47 -59.54 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.97 -37.28 0.97 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 115' ' ' PRO . 5.5 t-80 -52.19 132.3 41.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.747 . . . . 0.0 109.576 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.3 Cg_endo -75.03 -48.9 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 116' ' ' LEU . 7.0 mt -52.38 -37.84 57.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.422 ' HB1' HD22 ' A' ' 123' ' ' LEU . . . -71.32 -49.3 43.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.691 ' O ' HD12 ' A' ' 41' ' ' ILE . 59.9 mt-30 -47.97 -24.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.21 -34.94 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 56.7 mm-40 -54.07 140.29 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -85.09 -40.16 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 7.6 p -47.94 -46.12 31.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 108.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.422 HD22 ' HB1' ' A' ' 117' ' ' ALA . 6.5 tp -59.87 -57.2 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 127' ' ' LEU . 19.9 m-70 -41.87 -41.11 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.502 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.7 OUTLIER -61.33 -58.43 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.525 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 11.2 t80 -37.19 -32.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.6 HD13 ' SD ' ' A' ' 35' ' ' MET . 4.8 mt -111.87 163.12 14.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 70.79 -57.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.84 151.01 47.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.407 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 11.8 tp10 -86.55 -69.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -103.89 129.05 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.816 HG22 ' H ' ' A' ' 134' ' ' ARG . 59.2 mt -69.21 131.52 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 134' ' ' ARG . 12.2 m-20 -91.74 29.22 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.816 ' H ' HG22 ' A' ' 132' ' ' ILE . 13.9 mtt180 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.454 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.0 m-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 17.5 p90 -156.19 124.83 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.617 HD21 ' HB1' ' A' ' 112' ' ' ALA . 7.0 tp -124.1 106.02 10.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -132.11 163.31 28.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.472 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.48 154.67 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -125.57 140.29 52.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mt -130.75 102.21 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -151.65 -174.97 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t30 62.66 69.08 0.93 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.373 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 131.77 14.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -132.18 124.22 28.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.4 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.51 HG22 ' HG2' ' A' ' 52' ' ' ARG . 4.2 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -150.88 163.89 37.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.32 94.17 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG21 ' HB2' ' A' ' 51' ' ' ARG . 45.0 t -80.59 94.68 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -102.19 100.74 10.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.352 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.483 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.1 ttp -93.6 143.82 25.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.457 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.4 ttt180 -138.25 141.5 39.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.606 ' HB ' HD12 ' A' ' 11' ' ' LEU . 5.1 t -168.99 171.68 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -131.35 12.69 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 9' ' ' ASN . 25.4 mt -79.04 153.79 77.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -74.98 -37.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.768 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.4 pt -37.94 -44.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 41' ' ' ILE . 80.7 m-85 -83.04 139.02 33.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -78.0 -51.66 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.7 mt -93.81 137.09 33.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -67.16 -45.17 77.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.23 143.44 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.93 169.15 23.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.1 p -120.81 128.6 53.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.1 m -136.57 -176.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -134.78 110.19 9.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HB2' HG21 ' A' ' 33' ' ' VAL . 14.8 mmp_? -113.09 147.95 36.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.51 ' HG2' HG22 ' A' ' 30' ' ' THR . 0.9 OUTLIER -114.7 152.31 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -42.56 -35.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 m -68.8 -50.15 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -44.18 -55.43 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.636 ' CD2' HD22 ' A' ' 104' ' ' LEU . 57.7 m-85 -47.2 -47.28 24.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.92 -46.69 71.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.517 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 38.1 t90 -63.1 -32.76 74.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.77 HD11 HD11 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -70.85 -56.43 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.525 ' HA ' HD12 ' A' ' 63' ' ' LEU . 10.6 tttm -44.62 -65.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' GLU . 1.3 t-20 -50.74 -53.05 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.517 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 15.5 mm-40 -43.85 -31.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.816 HD13 HD11 ' A' ' 111' ' ' ILE . 6.6 mt -80.92 -43.15 20.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' ASN . 1.9 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.411 HG23 ' CE1' ' A' ' 114' ' ' HIS . 5.6 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.406 ' HB ' ' NE2' ' A' ' 114' ' ' HIS . 70.4 t -81.93 101.2 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.447 ' CG1' ' HD2' ' A' ' 72' ' ' PRO . 39.5 t -111.71 140.4 23.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.0 166.15 29.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.792 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.25 31.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.48 149.25 42.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 106.33 2.25 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -54.45 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -57.5 -47.98 80.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.1 mt -57.91 -60.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -46.44 -53.89 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -63.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -54.13 -55.33 28.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -42.24 -65.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -54.44 -50.88 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -41.95 -69.57 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.636 HD22 ' CD2' ' A' ' 56' ' ' PHE . 34.0 mt -48.01 -51.65 23.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -49.07 -55.19 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -47.93 83.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 12.9 t80 -52.6 -59.54 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.722 HD12 HG21 ' A' ' 111' ' ' ILE . 4.1 tp -61.2 -40.16 84.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -42.07 61.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -37.95 21.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.816 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -58.15 -51.83 66.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.617 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -48.3 -56.8 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.7 -32.06 0.82 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.411 ' CE1' HG23 ' A' ' 69' ' ' ILE . 8.3 t-80 -56.96 132.12 79.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 109.598 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.2 Cg_endo -74.99 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.9 mt -51.21 -40.61 59.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.9 69.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.231 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.692 ' O ' HD12 ' A' ' 41' ' ' ILE . 53.6 mt-30 -52.37 -21.22 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -92.97 -42.99 9.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -46.01 146.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -34.22 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 11.5 p -53.04 -35.59 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.7 tp -73.82 -56.58 4.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 127' ' ' LEU . 17.9 m-70 -40.74 -48.08 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -52.5 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.511 ' HA ' HD11 ' A' ' 132' ' ' ILE . 13.4 t80 -38.16 -34.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.483 HD13 ' SD ' ' A' ' 35' ' ' MET . 3.4 mt -113.88 158.46 21.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 76.51 -55.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.24 150.15 38.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -79.88 -70.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.231 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.06 133.28 45.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 126' ' ' PHE . 49.0 mt -77.65 163.95 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.487 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 1.1 m-20 -127.97 114.34 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.452 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.585 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.3 m120 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 21.9 p90 -147.17 124.83 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.804 HD21 ' HB1' ' A' ' 112' ' ' ALA . 3.8 tp -121.61 108.81 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -132.63 162.08 32.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.478 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.59 149.88 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.7 131.2 53.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.7 99.55 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -152.52 -174.96 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 69.33 66.67 0.47 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 131.97 14.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -135.65 116.48 14.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.8 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.377 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.611 HG21 ' HD2' ' A' ' 50' ' ' ARG . 60.3 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -149.52 153.77 37.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.12 99.82 7.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.47 HG21 ' HB2' ' A' ' 51' ' ' ARG . 45.2 t -80.95 98.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -108.55 99.9 9.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.572 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.1 ttp -93.15 143.73 25.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -134.17 140.06 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.556 ' HB ' HD12 ' A' ' 11' ' ' LEU . 3.6 t -169.64 163.04 10.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -127.33 17.13 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 9' ' ' ASN . 22.8 mt -83.8 155.76 64.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.5 Cg_endo -74.96 -38.56 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.801 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.9 pt -38.59 -44.77 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.801 ' CE1' HD11 ' A' ' 41' ' ' ILE . 84.4 m-85 -84.87 137.77 32.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -82.68 -45.44 14.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.763 HD12 ' HB3' ' A' ' 128' ' ' GLN . 15.2 mt -92.37 143.52 26.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -81.99 -42.39 19.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 1.6 tm-20 -151.32 141.75 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.88 169.62 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.471 ' O ' HG13 ' A' ' 49' ' ' VAL . 29.6 p -136.54 146.46 46.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 108.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 48' ' ' CYS . 35.6 m -156.31 -179.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.611 ' HD2' HG21 ' A' ' 30' ' ' THR . 3.2 ttt180 -109.79 116.88 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB2' HG21 ' A' ' 33' ' ' VAL . 14.4 mmp_? -129.81 141.89 50.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' NH2' ' OD2' ' A' ' 55' ' ' ASP . 7.9 mtm180 -110.9 156.18 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.422 ' HD1' HD21 ' A' ' 104' ' ' LEU . 30.1 t80 -51.0 -27.15 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 t -74.65 -46.76 35.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' OD2' ' NH2' ' A' ' 52' ' ' ARG . 89.6 m-20 -48.29 -48.25 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -53.71 -49.33 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -49.12 -49.73 40.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.595 ' CZ3' ' SG ' ' A' ' 122' ' ' CYS . 30.9 t90 -55.23 -53.45 55.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.046 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.563 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -56.77 -53.51 56.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -46.06 -58.08 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' GLU . 17.7 t30 -50.76 -53.44 31.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -45.88 -31.57 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.7 HD13 HD11 ' A' ' 111' ' ' ILE . 46.1 mt -81.57 -36.19 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.4 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -100.51 101.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.516 HG13 ' HD2' ' A' ' 72' ' ' PRO . 59.4 t -96.14 140.66 22.35 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.516 ' HD2' HG13 ' A' ' 71' ' ' VAL . 18.3 Cg_endo -75.05 158.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.61 30.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 14.9 mt -86.77 142.35 34.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -75.02 86.79 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -47.58 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -51.86 68.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 53.3 mt -49.56 -48.98 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.09 -60.4 3.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -42.0 -56.23 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -63.4 -55.2 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.268 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.0 ttp-105 -48.13 -67.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.12 -46.96 86.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . -45.14 -53.41 7.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.422 HD21 ' HD1' ' A' ' 53' ' ' TYR . 20.6 mt -58.84 -54.24 49.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.407 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.7 OUTLIER -45.02 -43.25 9.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -53.58 46.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.489 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -50.24 -55.08 16.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.747 HD12 HG21 ' A' ' 111' ' ' ILE . 5.0 tp -62.7 -43.07 98.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -47.78 -40.33 20.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -85.74 -42.53 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -54.1 -46.59 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.804 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.12 -62.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.76 -34.0 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . 6.2 t-80 -55.71 126.84 65.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.618 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -43.53 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.4 mt -58.59 -27.94 65.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 114' ' ' HIS . . . -83.47 -44.45 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.577 ' O ' HD12 ' A' ' 41' ' ' ILE . 48.9 mt-30 -51.3 -23.05 3.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -89.41 -35.2 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.468 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 65.2 mm-40 -53.57 135.77 39.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -74.56 -40.38 61.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.595 ' SG ' ' CZ3' ' A' ' 58' ' ' TRP . 53.5 t -45.25 -52.73 9.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.13 -55.19 38.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' LEU . 12.7 m-70 -45.45 -49.05 13.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.625 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' LEU . 1.4 ttm -63.0 -57.61 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.877 ' HA ' HD11 ' A' ' 132' ' ' ILE . 26.9 t80 -37.84 -30.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.572 HD13 ' SD ' ' A' ' 35' ' ' MET . 2.7 mt -112.26 153.99 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.763 ' HB3' HD12 ' A' ' 44' ' ' LEU . 54.6 mt-30 75.22 -55.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.19 144.77 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -83.62 -68.97 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.352 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.43 133.21 35.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.877 HD11 ' HA ' ' A' ' 126' ' ' PHE . 30.1 mt -98.4 150.73 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -113.07 112.94 24.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 5.7 p90 -150.3 124.21 9.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.617 HD12 ' HB ' ' A' ' 37' ' ' THR . 7.0 tp -121.26 102.69 8.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -135.08 160.08 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.652 HD13 ' CG1' ' A' ' 108' ' ' ILE . 2.8 mp -126.08 153.4 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -118.2 140.08 50.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mm -128.3 99.22 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -153.1 -174.35 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 68.85 64.22 0.57 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.4 Cg_endo -74.98 92.36 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -96.02 143.38 27.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.41 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.526 HG21 ' HG3' ' A' ' 50' ' ' ARG . 1.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.541 ' CE1' ' HG3' ' A' ' 101' ' ' ARG . 92.8 m-85 -99.49 147.04 25.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.39 97.3 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.68 91.39 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -106.48 122.34 46.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.588 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.7 tmm? -107.65 153.0 23.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -142.58 110.37 5.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.617 ' HB ' HD12 ' A' ' 11' ' ' LEU . 13.0 t -133.98 172.73 12.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -136.81 16.16 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.09 157.02 46.11 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -74.98 -37.97 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.769 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.7 pt -38.44 -44.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.769 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.8 m-85 -84.33 127.43 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -73.65 -44.47 56.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -92.0 139.45 30.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -75.94 -33.18 59.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -168.0 143.04 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.2 171.04 19.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.4 m -131.46 144.73 51.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.693 HG11 ' O ' ' A' ' 127' ' ' LEU . 15.6 m -146.09 164.06 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.526 ' HG3' HG21 ' A' ' 30' ' ' THR . 6.1 ttp180 -106.18 110.74 23.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.625 ' NH2' HD12 ' A' ' 132' ' ' ILE . 27.4 mmm180 -148.81 135.62 19.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.452 ' HG3' HG22 ' A' ' 30' ' ' THR . 5.1 mtm180 -89.14 -179.55 5.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 1.5 t80 -62.02 -36.93 83.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -41.93 78.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.6 ' OD2' ' CE1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -48.9 -59.56 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.485 ' CG ' HD22 ' A' ' 104' ' ' LEU . 62.6 m-85 -42.19 -46.79 4.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -42.7 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.475 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 25.8 t90 -65.61 -44.35 86.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 108.004 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.777 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -58.63 -51.58 69.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HG3' HG11 ' A' ' 71' ' ' VAL . 2.4 tttm -49.92 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' GLU . 8.3 t30 -46.51 -51.41 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.475 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 5.6 mm-40 -41.17 -29.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 111' ' ' ILE . 29.1 mt -82.78 -46.48 13.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.5 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.351 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.563 HG23 ' CE1' ' A' ' 114' ' ' HIS . 7.9 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.2 t -90.33 100.52 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.445 HG11 ' HG3' ' A' ' 60' ' ' LYS . 7.1 t -93.27 134.86 26.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.94 163.3 35.71 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.18 32.26 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.464 1.77 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 56' ' ' PHE . 16.1 mt -93.43 151.64 40.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.83 2.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.76 -59.36 4.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -48.69 -43.88 37.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.2 mt -60.72 -59.76 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -51.34 54.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -62.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -60.51 -38.52 84.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.357 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 4.1 ttp180 -56.55 -70.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -55.28 -46.38 76.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.62 -60.01 5.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.485 HD22 ' CG ' ' A' ' 56' ' ' PHE . 86.9 mt -54.02 -61.97 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.99 -49.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -56.83 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.561 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.3 t80 -47.37 -57.57 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.652 ' CG1' HD13 ' A' ' 13' ' ' ILE . 3.5 tp -61.26 -40.17 85.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -44.83 64.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -39.33 33.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.575 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -57.29 -51.5 68.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -53.16 -54.47 35.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -40.89 -38.68 1.71 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.424 1.078 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.563 ' CE1' HG23 ' A' ' 69' ' ' ILE . 6.5 t-80 -50.09 134.39 22.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 109.56 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 69' ' ' ILE . 7.1 mt -57.8 -37.75 74.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.16 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.74 ' O ' HD12 ' A' ' 41' ' ' ILE . 69.0 mt-30 -47.41 -24.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -91.71 -38.63 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -50.26 139.74 14.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -86.31 -44.57 11.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 23.2 p -43.24 -38.44 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.242 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.27 -60.75 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.702 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 99.1 m-70 -51.7 -54.09 32.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.44 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.8 OUTLIER -45.45 -57.32 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.777 ' CD2' HD22 ' A' ' 59' ' ' LEU . 2.2 t80 -51.39 -37.02 46.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.693 ' O ' HG11 ' A' ' 49' ' ' VAL . 51.5 mt -83.6 -89.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.495 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 84.8 mt-30 -36.84 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.04 144.34 49.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.91 -74.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.86 124.34 24.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.625 HD12 ' NH2' ' A' ' 51' ' ' ARG . 9.9 mt -84.55 110.26 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -70.94 115.82 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' A' ' 39' ' ' LEU . 1.2 p-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 8.6 p90 -156.69 124.02 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.682 HD21 ' HB1' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -124.43 115.54 21.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -137.57 157.9 45.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.491 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.5 mt -136.7 162.25 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.449 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 25.8 m-20 -142.65 146.83 34.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.525 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.0 mt -130.3 102.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -152.02 -173.81 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.451 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.8 m-20 67.52 62.62 0.75 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.99 104.84 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.65 116.79 30.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.525 ' HB3' HG23 ' A' ' 15' ' ' ILE . 67.0 m-85 -100.49 131.42 46.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -77.26 117.36 18.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.32 101.41 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 13' ' ' ILE . 23.3 ttm180 -100.14 107.46 19.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.64 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.6 ttp -108.05 143.5 36.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.445 ' N ' ' HG2' ' A' ' 35' ' ' MET . 11.8 mtp180 -137.53 139.14 40.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.55 HG21 ' CD1' ' A' ' 42' ' ' PHE . 3.4 t -167.16 169.7 12.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -129.36 9.78 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' A' ' 9' ' ' ASN . 18.9 mt -79.99 153.27 74.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.02 -37.84 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.755 HD12 ' O ' ' A' ' 118' ' ' GLN . 8.0 pt -38.3 -43.28 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 41' ' ' ILE . 80.0 m-85 -81.48 139.15 35.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -80.88 -52.35 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.44 HD12 ' HB3' ' A' ' 128' ' ' GLN . 11.6 mt -91.45 122.31 33.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -61.12 -37.3 82.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -159.92 144.6 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.96 168.94 25.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -134.05 97.83 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 127' ' ' LEU . 15.9 m -116.11 147.68 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -105.91 140.41 38.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -147.4 166.76 26.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -100.32 174.19 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.404 ' HD1' HD21 ' A' ' 104' ' ' LEU . 9.3 t80 -68.53 -26.5 65.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -41.47 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 126' ' ' PHE . 20.8 t0 -42.36 -45.94 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CD1' HD22 ' A' ' 104' ' ' LEU . 46.0 m-85 -59.31 -43.94 92.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.51 -35.63 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.472 ' CE2' ' OE1' ' A' ' 62' ' ' GLU . 35.5 t90 -73.58 -50.01 23.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -55.66 -50.08 71.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -50.83 -60.76 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLU . 47.9 t-20 -44.82 -58.57 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.472 ' OE1' ' CE2' ' A' ' 58' ' ' TRP . 1.1 mp0 -39.52 -33.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 111' ' ' ILE . 79.7 mt -85.36 -46.66 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' ASN . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.245 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.8 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.2 t -101.42 100.73 10.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.7 t -92.29 137.22 24.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 165.8 30.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.86 41.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 23.1 mt -96.28 146.96 32.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -75.07 104.24 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -47.52 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -56.13 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mt -55.86 -43.1 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.373 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -60.64 3.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -50.14 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -71.59 -59.53 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.467 ' HG3' HG22 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -41.09 -61.28 1.02 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -59.79 -42.8 94.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.65 -50.09 50.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 56' ' ' PHE . 41.6 mt -61.25 -44.98 96.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 108' ' ' ILE . 0.4 OUTLIER -54.08 -51.65 63.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -51.41 68.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 7.2 t80 -49.78 -59.21 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.757 HD12 HG21 ' A' ' 111' ' ' ILE . 3.2 tp -62.49 -44.65 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.92 -36.67 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.95 -43.14 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.757 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -53.9 -45.92 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.682 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.91 -65.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.42 -36.27 0.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -46.16 131.89 7.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.591 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -39.85 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.486 1.782 . . . . 0.0 111.058 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.465 ' CB ' HG12 ' A' ' 69' ' ' ILE . 7.0 mt -62.74 -32.49 73.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.36 24.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.755 ' O ' HD12 ' A' ' 41' ' ' ILE . 39.6 mt-30 -54.36 -21.85 10.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -90.75 -33.16 15.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.61 135.45 57.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -28.46 23.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -45.9 90.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.469 ' HG ' HD12 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -54.84 -63.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.414 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 92.3 m-70 -39.18 -58.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.572 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.483 ' HG2' ' CG ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -46.34 -54.26 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.656 ' CD1' HD22 ' A' ' 59' ' ' LEU . 3.0 t80 -60.13 -31.8 70.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.469 HD12 ' HG ' ' A' ' 123' ' ' LEU . 47.6 mt -75.96 -51.79 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.48 ' O ' ' O ' ' A' ' 129' ' ' GLU . 60.8 mt-30 -116.6 -128.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.332 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.483 ' CG ' ' HG2' ' A' ' 125' ' ' MET . 0.0 OUTLIER 58.29 134.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -42.39 -52.64 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -154.69 135.24 13.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.643 HD11 ' HA ' ' A' ' 126' ' ' PHE . 15.3 mt -54.14 164.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.481 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 33.2 t0 -142.5 122.34 13.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HB3' HD21 ' A' ' 39' ' ' LEU . 57.7 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.8 p90 -146.79 124.95 12.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.61 HD12 ' HB ' ' A' ' 37' ' ' THR . 6.6 tp -128.79 107.58 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -140.8 164.07 31.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.4 155.04 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -124.12 143.13 50.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.8 mt -135.7 103.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 17' ' ' ASN . 43.8 p90 -151.99 -173.8 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.515 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 2.8 t-20 65.88 59.67 1.12 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.1 Cg_endo -75.07 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.542 1.812 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.58 140.12 39.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.59 ' HB3' HG23 ' A' ' 15' ' ' ILE . 82.2 m-85 -150.78 139.9 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.02 96.28 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.3 t -80.89 91.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.84 128.45 54.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.589 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 4.9 tmm? -115.05 154.8 28.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -143.17 117.05 9.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.61 ' HB ' HD12 ' A' ' 11' ' ' LEU . 6.7 t -147.95 169.5 19.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -131.7 8.67 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 9' ' ' ASN . 20.7 mt -77.92 154.27 80.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.99 -37.99 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.773 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.5 pt -39.21 -44.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.773 ' CE1' HD11 ' A' ' 41' ' ' ILE . 80.6 m-85 -83.11 133.69 35.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -71.68 -66.5 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -77.48 150.93 34.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -90.49 -35.54 15.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CG ' ' HG3' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -147.38 130.78 16.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.79 164.22 38.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.613 ' O ' HG13 ' A' ' 49' ' ' VAL . 20.1 p -135.32 156.54 48.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 108.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.639 HG11 ' O ' ' A' ' 127' ' ' LEU . 18.3 m -158.29 154.32 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.53 131.76 55.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.82 ' NH1' HD12 ' A' ' 132' ' ' ILE . 0.0 OUTLIER -160.28 166.02 30.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 20.0 mtm105 -87.44 179.93 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.545 ' HD2' HD11 ' A' ' 104' ' ' LEU . 9.7 t80 -66.13 -47.45 74.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' GLU . 14.4 m -50.34 -21.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 56' ' ' PHE . 8.8 p-10 -48.02 -36.78 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.906 ' CD2' HD22 ' A' ' 104' ' ' LEU . 68.3 m-85 -76.57 -25.99 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' SER . 14.1 mt-10 -71.35 -24.26 62.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.432 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 41.3 t90 -90.65 -37.82 13.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.521 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -64.54 -54.84 25.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -46.81 -63.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.401 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 4.5 t-20 -45.68 -48.7 14.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.1 mm-40 -45.85 -28.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.503 ' CD1' HD11 ' A' ' 111' ' ' ILE . 79.5 mt -84.61 -45.18 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.414 ' HB ' ' NE2' ' A' ' 114' ' ' HIS . 74.4 t -77.55 108.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 6.6 t -118.82 135.87 23.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.557 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.01 164.89 32.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.92 36.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 56' ' ' PHE . 10.0 mt -86.55 147.35 43.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.0 1.19 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -61.15 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.05 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -44.15 -45.86 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.7 mt -65.25 -61.5 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.93 -52.07 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -63.74 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -44.64 96.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -49.54 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -52.42 -39.97 61.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.81 -57.1 19.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.906 HD22 ' CD2' ' A' ' 56' ' ' PHE . 39.2 mt -58.24 -62.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.42 -45.09 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -62.52 -56.08 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.1 t80 -45.91 -56.51 5.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.648 HD12 HG21 ' A' ' 111' ' ' ILE . 3.7 tp -62.77 -44.16 99.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.14 -36.72 13.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -42.66 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.648 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -55.03 -43.93 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -53.59 -56.31 18.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.259 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.93 -43.47 2.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.414 ' NE2' ' HB ' ' A' ' 70' ' ' VAL . 7.2 t-80 -43.43 132.87 3.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 0.796 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -46.22 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.28 -35.69 65.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.06 -44.94 52.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.696 ' O ' HD12 ' A' ' 41' ' ' ILE . 58.5 mt-30 -52.94 -21.6 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -92.82 -35.04 13.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -64.9 121.17 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -29.62 68.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.81 -23.62 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.7 tp -79.23 -49.03 13.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.539 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 72.9 m-70 -63.4 -55.95 20.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.7 OUTLIER -52.87 -24.04 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.732 ' HA ' HD11 ' A' ' 132' ' ' ILE . 55.7 t80 -85.67 -8.9 57.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.639 ' O ' HG11 ' A' ' 49' ' ' VAL . 31.8 mt -107.36 -94.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.443 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 42.8 mt-30 -39.83 -66.16 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.32 115.45 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.419 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 3.0 pm0 -67.27 -47.37 70.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.98 126.14 48.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.82 HD12 ' NH1' ' A' ' 51' ' ' ARG . 21.5 mt -91.07 137.13 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 134' ' ' ARG . 32.1 t70 -103.57 79.59 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 133' ' ' ASP . 2.7 mtt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.522 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.8 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 9.2 p90 -156.63 128.36 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.817 ' CD2' ' HB1' ' A' ' 112' ' ' ALA . 3.4 tp -125.2 105.55 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.01 158.5 44.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.711 HD13 ' CG1' ' A' ' 108' ' ' ILE . 3.2 mt -127.24 153.3 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -119.09 147.75 43.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.434 HG13 ' CA ' ' A' ' 105' ' ' GLU . 5.9 mm -133.56 98.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -152.65 -174.14 4.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.513 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.7 t30 64.94 59.28 1.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.02 113.01 3.69 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -114.49 141.45 47.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.9 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 53.6 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.469 ' CE1' ' HG3' ' A' ' 101' ' ' ARG . 61.1 m-85 -150.95 133.31 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.11 105.58 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 t -83.58 91.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -98.6 102.49 14.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 2.9 tmm? -97.91 154.74 17.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' SD ' ' A' ' 35' ' ' MET . 20.2 mtp180 -149.56 115.58 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.512 ' HB ' HD12 ' A' ' 11' ' ' LEU . 9.1 t -136.17 172.62 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -134.36 16.99 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 9' ' ' ASN . 35.4 mt -91.68 154.66 44.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -74.94 -37.59 2.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.766 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.2 pt -37.77 -44.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.766 ' CE1' HD11 ' A' ' 41' ' ' ILE . 81.4 m-85 -82.61 138.26 34.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -75.04 -51.34 13.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' A' ' 128' ' ' GLN . 11.2 mt -92.29 139.17 30.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -72.78 -31.16 64.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.91 142.1 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -156.2 165.91 35.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.83 141.33 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.0 m -145.45 165.74 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.82 109.66 15.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.27 151.24 49.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.406 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 74.2 mtm180 -79.7 158.48 26.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -47.93 -44.14 29.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.8 m -47.48 -26.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.6 ' OD1' ' CD2' ' A' ' 56' ' ' PHE . 3.8 p-10 -55.93 -35.99 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.909 ' CE2' HD13 ' A' ' 104' ' ' LEU . 52.2 m-85 -73.28 -49.21 28.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -50.19 -25.54 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.546 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 70.4 t90 -84.99 -54.83 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 108.04 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.694 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -51.19 -47.06 62.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.666 ' HD3' HD12 ' A' ' 74' ' ' LEU . 4.8 tttm -60.11 -64.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -47.8 -37.74 14.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.546 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 3.6 mm-40 -51.41 -24.46 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.507 ' HB2' HG21 ' A' ' 71' ' ' VAL . 10.5 mt -98.71 -32.37 11.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.508 HG23 ' CE1' ' A' ' 114' ' ' HIS . 7.5 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.1 t -98.24 101.77 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 63' ' ' LEU . 8.9 t -86.97 137.29 33.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.04 166.57 28.87 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 147.02 33.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.666 HD12 ' HD3' ' A' ' 60' ' ' LYS . 14.2 mt -94.68 151.48 39.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 112.92 3.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 p -59.43 -59.39 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -41.13 -57.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.2 mt -53.2 -52.37 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -49.76 -50.19 45.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -59.34 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -60.18 -46.27 90.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.469 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 2.4 ttp180 -42.78 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -53.36 -49.39 67.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.0 -66.69 0.65 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.421 1.075 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.909 HD13 ' CE2' ' A' ' 56' ' ' PHE . 80.9 mt -50.7 -61.65 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.434 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.7 tt0 -38.33 -48.21 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -56.81 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.5 t80 -44.8 -58.99 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.865 HD12 HG21 ' A' ' 111' ' ' ILE . 7.0 tp -60.73 -43.55 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -41.95 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -42.95 16.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.865 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -54.81 -36.91 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.817 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -63.96 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.97 -31.26 0.09 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.508 ' CE1' HG23 ' A' ' 69' ' ' ILE . 4.0 t-80 -58.27 128.15 81.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.4 mt -61.03 -38.87 87.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.05 -44.64 60.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.682 ' O ' HD12 ' A' ' 41' ' ' ILE . 50.4 mt-30 -49.21 -25.23 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -90.52 -40.28 12.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -45.51 142.78 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.19 -24.77 25.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 27.2 p -61.89 -42.53 99.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 tp -64.53 -53.61 45.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 127' ' ' LEU . 32.6 m-70 -44.86 -55.05 5.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.547 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.544 ' SD ' HG23 ' A' ' 132' ' ' ILE . 1.1 ttm -54.85 -56.46 19.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.694 ' CD2' HD22 ' A' ' 59' ' ' LEU . 46.6 t80 -36.57 -32.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' MET . 3.8 mt -112.78 157.49 21.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.569 ' HB3' HD12 ' A' ' 44' ' ' LEU . 30.2 mt-30 75.27 -55.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.46 130.74 40.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -72.27 -67.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -94.95 127.55 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.544 HG23 ' SD ' ' A' ' 125' ' ' MET . 59.2 mt -82.28 133.34 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -93.36 80.29 4.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.533 ' HB3' HD21 ' A' ' 39' ' ' LEU . 5.3 m120 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.0 p90 -158.03 133.61 8.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.482 HD12 ' HB ' ' A' ' 37' ' ' THR . 6.0 tp -129.34 102.77 6.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -130.61 164.17 25.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.4 mt -135.58 156.6 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.79 141.7 50.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.524 HG23 ' CB ' ' A' ' 31' ' ' TYR . 2.1 mm -129.45 98.98 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -153.32 -174.34 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 4.3 t-20 68.24 62.32 0.68 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.03 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.25 119.49 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.524 ' CB ' HG23 ' A' ' 15' ' ' ILE . 58.1 m-85 -120.03 143.45 48.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.82 96.56 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.603 HG21 ' HB2' ' A' ' 51' ' ' ARG . 6.8 t -77.57 91.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.57 99.41 11.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.567 ' SD ' HD13 ' A' ' 127' ' ' LEU . 9.7 ttp -93.83 143.84 25.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' N ' ' HG2' ' A' ' 35' ' ' MET . 29.8 ptt180 -140.79 145.19 36.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.627 HG21 ' CD1' ' A' ' 42' ' ' PHE . 5.5 t -172.97 162.81 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.406 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -120.72 14.77 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 9' ' ' ASN . 33.2 mt -82.69 154.08 68.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.5 Cg_endo -74.97 -37.13 2.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.784 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.1 pt -37.76 -44.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.784 ' CE1' HD11 ' A' ' 41' ' ' ILE . 83.4 m-85 -84.67 151.16 24.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -94.97 -42.57 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -97.18 141.74 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -88.33 -35.97 16.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.79 126.37 15.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.227 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.12 163.1 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.408 ' C ' HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -135.4 145.36 47.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 108.359 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.408 HG13 ' C ' ' A' ' 48' ' ' CYS . 28.6 m -152.72 163.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -87.62 127.91 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.603 ' HB2' HG21 ' A' ' 33' ' ' VAL . 12.0 mmp_? -139.74 127.17 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -109.48 164.1 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 50.3 t80 -50.04 -38.26 37.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -48.07 71.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.24 -55.22 13.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.736 ' CD2' HD22 ' A' ' 104' ' ' LEU . 34.3 m-85 -47.7 -51.15 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.02 -54.67 6.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.447 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 48.6 t90 -50.67 -49.06 58.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 108.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.564 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -56.88 -49.81 74.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -58.02 -62.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.47 -51.58 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 30.6 mm-40 -40.45 -41.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.532 ' CD1' HD11 ' A' ' 111' ' ' ILE . 64.9 mt -68.77 -59.55 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.418 HD11 ' HB3' ' A' ' 116' ' ' LEU . 3.3 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.6 t -90.11 103.81 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 63' ' ' LEU . 13.0 t -82.62 140.49 44.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.575 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.97 163.49 35.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.443 1.759 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.8 42.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 mt -100.86 151.24 37.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.592 ' O ' ' CE1' ' A' ' 53' ' ' TYR . 18.2 Cg_endo -75.04 112.82 3.65 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.456 1.766 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.29 -51.77 18.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -51.41 -44.7 62.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.6 mt -60.58 -52.14 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.14 -58.76 6.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -62.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.42 -47.85 84.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -50.22 -60.2 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -64.81 -47.61 77.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -43.99 -62.88 2.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.736 HD22 ' CD2' ' A' ' 56' ' ' PHE . 26.2 mt -52.59 -55.95 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 1.6 tt0 -49.17 -49.1 44.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -43.29 96.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.9 t80 -62.42 -60.21 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.461 HD12 HG21 ' A' ' 111' ' ' ILE . 5.7 tp -58.98 -28.26 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 105' ' ' GLU . 0.7 OUTLIER -60.22 -61.07 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -37.82 88.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.532 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -61.55 -53.91 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.513 ' N ' HG22 ' A' ' 111' ' ' ILE . . . -52.42 -63.09 1.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ALA . . . -37.63 -34.85 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -53.11 126.28 43.69 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.567 0.804 . . . . 0.0 109.62 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.3 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 116' ' ' LEU . 4.3 mt -62.31 -38.04 87.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -72.47 -43.13 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.61 ' O ' HD12 ' A' ' 41' ' ' ILE . 52.6 mt-30 -46.73 -24.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -89.43 -37.02 15.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 117' ' ' ALA . 45.0 mm-40 -48.58 133.96 16.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -78.9 -45.4 20.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.8 p -44.13 -45.82 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.272 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' HIS . 1.9 tp -64.13 -60.93 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' LEU . 5.4 m-70 -39.25 -48.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.434 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.4 OUTLIER -58.51 -54.34 48.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.767 ' HA ' HD11 ' A' ' 132' ' ' ILE . 58.0 t80 -37.92 -32.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.567 HD13 ' SD ' ' A' ' 35' ' ' MET . 2.6 mt -109.06 160.22 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 127' ' ' LEU . 74.0 mt-30 72.57 -56.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.77 107.15 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -49.67 51.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -111.92 126.78 55.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.767 HD11 ' HA ' ' A' ' 126' ' ' PHE . 41.6 mt -79.44 112.16 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -75.21 96.25 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.635 ' HB2' HD21 ' A' ' 39' ' ' LEU . 2.5 p-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.4 p90 -157.98 122.93 4.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.784 HD21 ' HB1' ' A' ' 112' ' ' ALA . 3.3 tp -118.99 110.11 16.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.11 159.91 40.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.99 140.68 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.16 140.23 48.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.46 HG22 ' HG3' ' A' ' 101' ' ' ARG . 2.2 mt -128.16 102.77 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -147.39 -174.49 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.44 65.58 0.9 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.12 25.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.92 122.66 9.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -148.3 139.3 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' OE1' ' CA ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -78.11 118.16 20.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.5 t -97.15 102.15 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -107.83 105.34 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 3.0 tmm? -101.95 154.13 19.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' N ' ' SD ' ' A' ' 35' ' ' MET . 1.1 mtm180 -151.85 110.48 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.724 ' HB ' HD12 ' A' ' 11' ' ' LEU . 12.2 t -132.74 166.36 22.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -125.25 20.64 8.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.8 mt -92.43 153.6 42.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.98 -37.92 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.785 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.2 pt -38.35 -44.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.785 ' CE1' HD11 ' A' ' 41' ' ' ILE . 84.7 m-85 -82.87 129.17 34.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -67.14 -54.57 20.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mt -88.77 150.12 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -89.56 -40.58 12.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -145.65 141.03 27.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 t -156.88 166.97 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t -133.94 124.61 26.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 108.291 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.1 m -145.16 167.32 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -111.42 130.01 55.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.404 ' NH1' ' O ' ' A' ' 130' ' ' GLU . 33.4 mmt180 -135.51 128.07 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -83.63 165.79 18.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.457 ' CD1' ' HD2' ' A' ' 100' ' ' ARG . 47.1 t80 -58.91 -24.09 61.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.9 m -74.7 -51.5 14.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -43.19 -44.86 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.654 ' CD2' HD22 ' A' ' 104' ' ' LEU . 20.8 m-85 -58.26 -45.09 88.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.38 -49.04 73.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.561 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 16.5 t90 -63.91 -34.54 78.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.524 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -65.93 -50.8 63.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.617 ' HA ' HD12 ' A' ' 63' ' ' LEU . 13.2 tttm -58.84 -61.97 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.46 -34.81 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.561 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.6 mm-40 -60.37 -37.3 80.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.884 HD13 HD11 ' A' ' 111' ' ' ILE . 0.6 OUTLIER -84.39 -8.04 59.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.656 HG12 HD12 ' A' ' 116' ' ' LEU . 3.9 mt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.65 105.08 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 72' ' ' PRO . 4.1 t -98.86 140.25 21.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.1 Cg_endo -75.05 160.87 39.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.4 35.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.813 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 18.8 mt -93.78 143.27 26.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.441 ' O ' ' CE1' ' A' ' 53' ' ' TYR . 18.3 Cg_endo -74.96 109.99 3.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.4 OUTLIER -47.59 -61.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -43.6 -52.41 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.7 mt -56.1 -35.3 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 95' ' ' SER . 17.3 tt0 -74.34 -57.17 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.33 -48.24 9.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.457 ' HD2' ' CD1' ' A' ' 53' ' ' TYR . 7.2 tpp180 -65.84 -50.72 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.46 ' HG3' HG22 ' A' ' 15' ' ' ILE . 4.6 ttt180 -51.73 -68.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -54.59 -38.96 67.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.44 -62.3 5.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.654 HD22 ' CD2' ' A' ' 56' ' ' PHE . 55.2 mt -51.81 -48.15 63.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 108' ' ' ILE . 0.7 OUTLIER -51.54 -55.47 18.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -55.43 -47.87 75.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 6.3 t80 -54.07 -59.01 5.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.759 HD12 HG21 ' A' ' 111' ' ' ILE . 4.6 tp -61.16 -42.15 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -39.77 41.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -40.72 15.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.884 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -56.59 -48.04 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.784 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -58.47 -47.28 84.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -48.27 -35.47 14.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -55.35 135.85 69.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.447 1.761 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.656 HD12 HG12 ' A' ' 69' ' ' ILE . 7.4 mt -56.7 -37.14 70.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.03 -44.68 68.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.662 ' O ' HD12 ' A' ' 41' ' ' ILE . 63.1 mt-30 -52.74 -24.21 8.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -92.28 -31.78 15.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.436 ' HG3' HD23 ' A' ' 63' ' ' LEU . 49.7 mm-40 -54.32 140.21 34.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.2 -48.97 9.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 24.9 p -44.11 -33.61 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 108.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.71 -52.08 28.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -55.96 -28.97 59.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.421 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER -72.76 -31.05 64.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.524 ' CG ' HD22 ' A' ' 59' ' ' LEU . 43.7 t80 -70.1 -20.06 63.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.0 mt -116.0 150.99 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 77.09 -54.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.251 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.09 153.64 30.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.404 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 19.3 tp10 -93.02 -61.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.56 129.21 45.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.421 ' HA ' ' SD ' ' A' ' 125' ' ' MET . 16.7 mt -84.13 114.96 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -72.03 79.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.486 ' HB2' HD21 ' A' ' 39' ' ' LEU . 12.2 p30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.8 p90 -157.26 122.42 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.0 tp -120.73 104.62 10.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -132.19 157.88 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.482 HD13 HG12 ' A' ' 108' ' ' ILE . 4.3 mt -129.13 152.23 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.7 139.48 53.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.5 HG22 ' HG3' ' A' ' 101' ' ' ARG . 2.6 mt -130.87 102.49 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -151.29 -174.9 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER 66.42 64.46 0.83 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -75.04 145.65 31.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.26 117.71 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 110.431 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -150.78 151.12 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.99 99.07 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.8 t -78.03 97.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -105.04 107.94 19.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 4.6 tmm? -104.53 155.23 19.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' N ' ' SD ' ' A' ' 35' ' ' MET . 2.9 mtp180 -147.79 107.03 3.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.52 ' HB ' HD12 ' A' ' 11' ' ' LEU . 13.8 t -128.65 170.6 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.32 13.98 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 9' ' ' ASN . 32.6 mt -86.01 155.98 57.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.0 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.785 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.6 pt -38.43 -44.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.785 ' CE1' HD11 ' A' ' 41' ' ' ILE . 81.4 m-85 -83.34 129.85 35.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -68.99 -52.95 23.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.81 149.2 23.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -86.13 -32.42 21.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -159.35 143.95 15.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 t -156.66 168.32 27.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.6 p -134.41 129.43 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.41 176.76 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 144.37 41.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 14.6 tpp180 -156.65 128.62 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -85.54 178.54 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -73.74 -25.53 60.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -41.04 61.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.408 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -48.84 -49.25 40.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.797 ' CD2' HD22 ' A' ' 104' ' ' LEU . 25.2 m-85 -54.31 -45.91 72.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 1.3 mt-10 -52.78 -36.12 57.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.405 ' CZ3' ' SG ' ' A' ' 122' ' ' CYS . 14.4 t90 -71.3 -45.52 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.033 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.11 -46.05 90.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 63' ' ' LEU . 19.5 tttm -64.17 -64.56 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -48.62 -30.33 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.49 -35.15 79.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 111' ' ' ILE . 39.8 mt -71.9 -45.26 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -86.06 102.61 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 4.0 t -104.25 137.25 19.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.576 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -74.99 164.58 33.08 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 151.5 39.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.443 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 28.0 mt -94.36 148.53 35.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 81.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.9 t -42.92 -59.18 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.94 -52.28 25.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.7 mt -49.67 -48.22 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.84 -54.2 45.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -57.05 9.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.05 -52.62 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.5 ' HG3' HG22 ' A' ' 15' ' ' ILE . 1.1 ttp-105 -49.86 -68.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -54.9 -45.96 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.59 -69.39 0.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.797 HD22 ' CD2' ' A' ' 56' ' ' PHE . 42.5 mt -40.83 -55.29 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.272 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.93 -44.59 9.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -55.89 20.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -44.42 -54.54 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.594 HD12 ' CG2' ' A' ' 111' ' ' ILE . 5.1 tp -66.57 -50.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.453 ' N ' HG23 ' A' ' 108' ' ' ILE . 0.7 OUTLIER -39.42 -35.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.91 -59.91 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.594 ' CG2' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -42.03 -31.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -63.28 -56.98 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.97 -36.48 2.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.562 1.163 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 116' ' ' LEU . 6.1 t-80 -52.89 126.56 42.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.612 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.56 2.45 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.6 mt -64.46 -26.79 68.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.73 -40.34 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.501 ' O ' HD12 ' A' ' 41' ' ' ILE . 66.8 mt-30 -52.36 -25.17 9.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -89.74 -41.57 11.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.431 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 44.4 mm-40 -39.62 135.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -78.26 -22.04 48.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.405 ' SG ' ' CZ3' ' A' ' 58' ' ' TRP . 40.8 t -64.11 -56.89 11.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 tp -52.3 -57.02 11.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 127' ' ' LEU . 22.1 m-70 -43.61 -56.26 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.4 OUTLIER -57.64 -53.27 60.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.796 ' HA ' HD11 ' A' ' 132' ' ' ILE . 36.8 t80 -37.86 -44.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 124' ' ' HIS . 1.4 mt -103.58 165.38 11.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 77.03 -54.76 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.05 150.31 27.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -85.18 -59.57 2.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.91 125.55 45.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.796 HD11 ' HA ' ' A' ' 126' ' ' PHE . 29.3 mt -81.98 114.24 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 134' ' ' ARG . 1.8 m-20 -72.57 74.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 133' ' ' ASP . 14.0 mtp180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.476 ' HB2' HD21 ' A' ' 39' ' ' LEU . 2.9 p-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 9.6 p90 -156.86 122.69 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.779 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.1 tp -120.33 106.1 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -132.04 160.81 34.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mt -134.8 139.62 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.01 141.21 47.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' A' ' 31' ' ' TYR . 1.7 mt -132.07 104.87 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 101' ' ' ARG . 44.1 p90 -151.0 -174.83 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 58.17 71.97 0.95 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.51 28.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.8 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -145.3 118.63 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.5 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 52' ' ' ARG . 2.6 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.426 ' HB2' HG23 ' A' ' 15' ' ' ILE . 17.2 m-85 -97.38 156.6 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.55 96.67 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.7 t -78.78 108.21 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -110.53 102.17 10.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.413 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tmm? -99.82 153.49 19.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -151.32 111.23 4.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.609 ' HB ' HD12 ' A' ' 11' ' ' LEU . 11.5 t -130.99 170.1 14.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -131.46 19.06 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.2 mt -93.43 154.72 41.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -38.21 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.747 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.1 pt -38.08 -44.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' A' ' 41' ' ' ILE . 81.0 m-85 -81.86 131.19 35.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -66.01 -55.14 18.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.072 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.6 mt -91.73 143.52 26.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -79.59 -29.8 41.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -165.89 144.26 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.4 170.64 21.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.6 p -125.24 117.67 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.265 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.4 m -136.93 173.04 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 6.4 ptt180 -125.71 123.29 38.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 12.7 mmp_? -123.58 152.83 41.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.468 ' HB3' HG22 ' A' ' 30' ' ' THR . 19.0 ptt180 -120.71 150.02 41.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -39.61 -43.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -45.57 69.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ARG . 83.1 m-20 -55.1 -56.44 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.736 ' HB3' HD21 ' A' ' 74' ' ' LEU . 65.0 m-85 -47.1 -41.9 18.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -61.01 -48.15 83.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.605 ' CZ2' ' OE1' ' A' ' 62' ' ' GLU . 6.7 t90 -63.23 -42.61 99.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.3 -52.32 64.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' LEU . 15.0 tttm -56.9 -69.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -45.59 -34.78 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.605 ' OE1' ' CZ2' ' A' ' 58' ' ' TRP . 0.7 OUTLIER -69.61 -39.28 77.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.529 ' CD1' HD11 ' A' ' 111' ' ' ILE . 3.1 mt -60.11 -43.22 95.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.7 t -95.59 100.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 10.6 t -100.64 137.17 19.8 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.07 159.11 41.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.34 40.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.736 HD21 ' HB3' ' A' ' 56' ' ' PHE . 12.5 mt -94.35 150.2 37.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 93.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.9 -58.73 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -57.51 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 13.3 mt -47.91 -57.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.21 -49.09 70.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -57.23 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -53.67 -55.32 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 16' ' ' PHE . 20.2 ttp180 -46.96 -66.61 0.38 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.15 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -41.08 -60.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.24 -63.23 1.87 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.586 HD22 ' CD2' ' A' ' 56' ' ' PHE . 45.8 mt -44.03 -59.43 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.97 -46.6 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -55.18 23.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 5.3 t80 -43.91 -58.8 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.698 HD12 HG21 ' A' ' 111' ' ' ILE . 4.4 tp -61.27 -49.53 84.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.434 ' N ' HG23 ' A' ' 108' ' ' ILE . 1.2 m-80 -44.35 -37.85 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 -40.82 13.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.698 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -55.89 -48.45 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.779 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -56.74 -57.84 10.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.78 -33.0 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -58.06 131.89 83.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.0 mt -56.76 -36.59 69.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.417 ' HB1' HD22 ' A' ' 123' ' ' LEU . . . -73.39 -48.48 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.671 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.1 mt-30 -47.02 -25.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.52 -43.77 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.05 138.35 15.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 -41.32 17.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 27.3 p -44.92 -41.05 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.31 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.417 HD22 ' HB1' ' A' ' 117' ' ' ALA . 9.7 tp -60.98 -58.65 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -39.89 -61.41 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 127' ' ' LEU . 1.9 ttm -37.71 -57.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.553 ' CD1' HD22 ' A' ' 59' ' ' LEU . 15.8 t80 -36.9 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' MET . 2.6 mt -112.92 155.59 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 77.76 -54.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.13 115.29 9.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -51.02 39.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -114.3 164.76 13.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 20.9 mm -91.83 103.74 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 134' ' ' ARG . 28.5 t0 -82.88 76.63 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 133' ' ' ASP . 7.4 mtm-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HB2' HD21 ' A' ' 39' ' ' LEU . 11.3 p30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 34.5 p90 -154.23 124.4 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.766 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.2 tp -123.2 112.96 18.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.18 155.03 43.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.563 HD13 ' CG1' ' A' ' 108' ' ' ILE . 3.3 mt -124.48 149.37 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.576 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 5.8 m-20 -114.71 148.19 38.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.431 HG13 ' CA ' ' A' ' 105' ' ' GLU . 10.8 mm -132.6 98.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -152.43 -174.91 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 64.23 62.94 1.38 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -75.02 135.04 18.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -140.65 128.69 22.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.2 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.528 ' OH ' HG23 ' A' ' 97' ' ' ILE . 72.2 m-85 -148.73 145.29 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 96.83 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 15' ' ' ILE . 48.7 t -77.68 91.83 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -97.76 107.98 20.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.465 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.2 tmm? -103.66 154.86 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' SD ' ' A' ' 35' ' ' MET . 2.0 mtt85 -149.48 114.73 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.661 ' HB ' HD12 ' A' ' 11' ' ' LEU . 7.6 t -138.22 171.61 14.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.46 ' ND2' ' CD2' ' A' ' 10' ' ' PHE . 5.3 p30 -131.71 11.92 4.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 9' ' ' ASN . 24.9 mt -81.68 154.96 71.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.94 -38.21 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.776 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.8 pt -38.33 -44.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.776 ' CE1' HD11 ' A' ' 41' ' ' ILE . 82.0 m-85 -84.05 136.95 33.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -74.96 -54.31 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.22 144.3 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -80.72 -31.07 36.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 47' ' ' SER . 5.1 tt0 -152.92 142.1 21.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 5.5 p -156.7 155.84 32.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.42 121.81 25.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.345 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.9 m -125.12 173.71 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -123.5 118.43 27.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -150.81 154.38 37.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -107.57 174.85 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 21.7 t80 -50.1 -32.87 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.4 t -58.94 -21.26 57.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.539 ' CG ' ' CE1' ' A' ' 126' ' ' PHE . 44.8 t0 -70.99 -66.45 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.754 ' CD1' HD22 ' A' ' 104' ' ' LEU . 92.7 m-85 -45.41 -38.08 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 53' ' ' TYR . 3.8 mt-10 -61.17 -45.34 95.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -65.79 -42.28 90.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 107.986 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -53.04 61.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -55.21 -64.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -48.67 -34.35 11.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HG2' ' CB ' ' A' ' 122' ' ' CYS . 3.8 tp10 -66.21 -40.8 90.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.513 ' CD1' HD11 ' A' ' 111' ' ' ILE . 18.7 mt -65.11 -49.02 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.319 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.4 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.8 t -93.23 101.98 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.8 t -91.94 138.64 24.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 168.42 24.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 143.71 29.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 56' ' ' PHE . 18.4 mt -98.22 150.36 36.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 61.9 5.76 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.39 -59.56 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -46.21 -54.97 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.528 HG23 ' OH ' ' A' ' 31' ' ' TYR . 3.5 mt -55.12 -61.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -43.3 -57.63 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.54 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -51.1 71.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -39.68 -66.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.2 -44.52 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.36 -67.98 1.21 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.434 1.084 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.754 HD22 ' CD1' ' A' ' 56' ' ' PHE . 49.7 mt -49.47 -62.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.431 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.1 tt0 -39.09 -53.01 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -53.81 53.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.3 t80 -49.5 -59.01 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.752 HD12 HG21 ' A' ' 111' ' ' ILE . 6.1 tp -60.21 -40.07 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.01 -45.19 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.86 -40.24 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.752 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -57.22 -42.4 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.766 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -61.01 -61.26 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.23 -34.65 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 115' ' ' PRO . 5.3 t-80 -54.33 131.28 61.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.753 . . . . 0.0 109.643 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.3 Cg_endo -75.01 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mt -59.44 -41.81 90.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -68.08 -50.89 52.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.66 ' O ' HD12 ' A' ' 41' ' ' ILE . 66.7 mt-30 -42.7 -27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.93 -41.88 10.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ALA . 30.0 mm-40 -42.05 148.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.95 -47.55 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.403 ' CB ' ' HG2' ' A' ' 62' ' ' GLU . 1.9 p -42.76 -42.53 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 tp -64.19 -57.27 10.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' LEU . 26.6 m-70 -45.67 -42.88 12.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.51 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -69.69 -40.6 76.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.658 ' HA ' HD11 ' A' ' 132' ' ' ILE . 50.8 t80 -52.26 -24.36 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 124' ' ' HIS . 3.9 mt -122.05 155.76 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 77.02 -54.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.256 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.3 105.97 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -47.13 -60.07 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -105.41 129.06 53.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.658 HD11 ' HA ' ' A' ' 126' ' ' PHE . 49.8 mt -81.57 115.85 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -75.88 77.44 2.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -142.58 -60.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 60.31 172.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.55 108.09 0.22 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -144.3 143.27 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 109.951 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.2 p -172.78 168.89 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.49 115.76 0.6 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m 61.87 133.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.422 ' HB2' HD21 ' A' ' 39' ' ' LEU . 3.5 p-10 -72.89 144.44 47.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 32.1 p90 -155.38 124.43 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.782 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.2 tp -122.73 110.29 15.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -143.74 154.75 43.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.551 HD13 ' CG1' ' A' ' 108' ' ' ILE . 3.1 mt -124.87 148.31 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.528 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 4.4 m-20 -113.32 146.15 39.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 31' ' ' TYR . 4.3 mm -130.15 101.9 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -152.22 -175.16 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 10.5 t-20 65.17 63.83 1.07 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.4 Cg_endo -74.98 108.58 2.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -107.04 134.25 50.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.2 m -89.07 142.16 27.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.716 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -120.67 166.29 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.2 175.88 0.1 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.24 142.47 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.83 -103.09 0.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -142.66 174.79 10.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.757 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 45.99 28.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.69 172.16 5.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.716 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 4.0 p90 -140.45 174.23 10.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 30' ' ' THR . 1.0 OUTLIER -137.06 166.18 24.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.8 p -120.77 -178.87 3.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.495 ' HB3' HG23 ' A' ' 15' ' ' ILE . 65.9 m-85 -147.32 142.89 27.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.989 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.55 101.6 9.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 t -83.75 95.35 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -106.55 108.16 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.59 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.1 tmm? -98.55 154.81 17.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' SD ' ' A' ' 35' ' ' MET . 10.1 mtp180 -150.54 114.18 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.54 ' HB ' HD12 ' A' ' 11' ' ' LEU . 10.8 t -137.61 176.9 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.79 10.86 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.9 mt -79.79 155.42 75.61 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -75.0 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.773 HD11 ' CE1' ' A' ' 42' ' ' PHE . 6.8 pt -38.9 -43.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.773 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.5 m-85 -84.47 127.36 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -47.82 71.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 mt -94.35 145.32 24.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -82.93 -34.72 26.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HG3' ' CG ' ' A' ' 36' ' ' ARG . 2.0 tm-20 -147.82 142.49 26.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 7.9 p -156.8 147.06 21.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.6 p -121.47 128.5 52.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.321 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.732 HG21 ' O ' ' A' ' 127' ' ' LEU . 31.2 m -141.86 160.59 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -102.63 134.36 46.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 10.3 tpp180 -156.05 158.78 38.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -125.14 179.88 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.655 ' HD1' HD21 ' A' ' 104' ' ' LEU . 79.3 t80 -63.89 -54.57 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.99 -34.8 13.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 5.7 m-20 -65.38 -53.55 41.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CE1' ' CZ ' ' A' ' 126' ' ' PHE . 18.7 m-85 -49.5 -30.57 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -22.16 66.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -84.91 -36.7 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.635 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.5 OUTLIER -72.15 -58.34 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.648 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.4 tttm -43.63 -53.55 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -53.81 -45.42 70.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.66 -22.13 12.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.888 HD13 HD11 ' A' ' 111' ' ' ILE . 6.4 mt -92.27 -27.56 17.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -88.81 40.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -67.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 172.91 104.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.438 ' C ' ' N ' ' A' ' 69' ' ' ILE . 3.5 m -179.5 36.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 42.06 28.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.7 mt -84.58 134.63 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.3 t -102.67 101.43 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 4.9 t -97.45 137.58 21.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.546 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.02 161.43 38.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.08 37.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 12.1 mt -88.84 140.09 29.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -74.98 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 155.51 167.26 16.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -162.66 134.09 5.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 77' ' ' LYS . . . 179.07 124.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tt -170.91 88.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.54 65.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -152.84 125.76 8.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.349 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.79 -55.32 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.3 mt -115.32 151.36 45.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 86.68 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -133.19 -46.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.81 167.92 10.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.04 -104.56 0.35 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -88.29 133.07 34.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.243 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -87.61 67.05 9.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.27 94.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.705 HD13 ' CE2' ' A' ' 96' ' ' PHE . 2.1 pp -141.08 109.99 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -144.77 93.85 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -158.22 139.96 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -49.31 -46.15 46.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.8 m -43.31 -59.19 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.705 ' CE2' HD13 ' A' ' 91' ' ' ILE . 0.6 OUTLIER -48.02 -64.24 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 111.019 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mt -47.26 -47.1 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -56.8 -52.53 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.68 -60.46 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -57.34 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -41.91 -49.64 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -72.7 -53.24 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -41.49 -69.34 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.655 HD21 ' HD1' ' A' ' 53' ' ' TYR . 27.7 mt -43.18 -60.53 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.405 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.8 tt0 -39.95 -48.3 2.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.17 -50.93 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.546 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.2 t80 -51.36 -53.56 35.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.696 HD12 HG21 ' A' ' 111' ' ' ILE . 4.2 tp -65.07 -43.6 95.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.97 -36.92 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.19 -43.25 12.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.888 HD11 HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -54.99 -46.48 77.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.782 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.06 -40.95 70.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.63 -40.76 80.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.474 ' CE1' ' HG ' ' A' ' 116' ' ' LEU . 5.9 t-80 -49.36 132.59 17.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 0.778 . . . . 0.0 109.62 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 116' ' ' LEU . 4.9 mt -59.68 -26.55 65.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.75 -41.57 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.733 ' O ' HD12 ' A' ' 41' ' ' ILE . 65.0 mt-30 -53.36 -22.89 8.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -91.86 -35.57 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -49.17 141.64 8.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -44.81 11.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.1 p -45.23 -44.1 10.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 108.279 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.3 tp -50.29 -60.27 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.556 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 95.3 m-70 -54.17 -51.3 64.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.514 ' CE ' ' CD2' ' A' ' 136' ' ' TYR . 1.2 ttm -51.6 -34.48 37.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.651 ' CZ ' ' CE1' ' A' ' 56' ' ' PHE . 27.4 t80 -79.64 -10.84 59.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.732 ' O ' HG21 ' A' ' 49' ' ' VAL . 28.2 mt -107.86 -90.82 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.489 ' O ' HG11 ' A' ' 49' ' ' VAL . 74.1 mt-30 -38.9 -63.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.96 138.68 57.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.444 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -87.03 -42.65 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.255 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -112.87 125.1 53.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.406 HG23 ' SD ' ' A' ' 125' ' ' MET . 63.7 mt -77.73 147.46 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 134' ' ' ARG . 2.7 m-20 -117.97 83.0 1.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 133' ' ' ASP . 6.4 mtm180 -37.9 129.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 64.1 53.21 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.514 ' CD2' ' CE ' ' A' ' 125' ' ' MET . 40.3 p90 -73.42 178.3 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.93 120.53 48.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.83 20.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.765 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 141' ' ' SER . . . -161.54 138.16 5.28 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt 70.16 -62.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.753 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 139' ' ' GLY . 0.2 OUTLIER 40.14 80.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 39.52 -156.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 91.65 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 25.1 p -66.35 169.35 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.033 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.31 88.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -169.63 157.39 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 t -157.98 154.75 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.8 92.92 0.11 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 p -169.72 94.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -137.96 142.04 40.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.35 -133.21 8.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 m -144.68 165.78 27.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.645 ' HB3' HD21 ' A' ' 39' ' ' LEU . 20.3 m-20 -76.76 159.67 29.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 5.6 p90 -155.89 132.2 10.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.669 HD21 ' HB1' ' A' ' 112' ' ' ALA . 5.5 tp -127.88 107.88 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -134.93 160.35 38.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.72 140.23 46.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.03 142.06 46.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mt -135.89 101.3 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -152.14 -175.12 5.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 66.98 68.38 0.57 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.4 Cg_endo -75.0 132.42 15.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.492 ' C ' ' HG1' ' A' ' 29' ' ' THR . 43.1 tt0 -138.96 132.69 30.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 28' ' ' PHE . 51.7 m -97.82 150.71 20.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.597 HG11 ' CE1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -91.44 165.8 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.87 -148.93 1.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -140.29 140.37 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.66 151.96 7.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 32.8 mtt85 -93.43 90.44 6.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 0.809 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . 176.23 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ALA . 3.2 mtt-85 -55.77 -164.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.606 ' O ' HG23 ' A' ' 20' ' ' THR . 3.3 p90 -118.0 174.44 6.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.492 ' HG1' ' C ' ' A' ' 19' ' ' GLN . 3.0 t -134.98 160.08 39.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.581 HG21 ' HG3' ' A' ' 50' ' ' ARG . 39.1 p -115.42 -175.98 2.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.375 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.446 ' CD1' ' HG3' ' A' ' 101' ' ' ARG . 39.2 m-85 -148.28 145.52 28.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.04 100.41 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 51' ' ' ARG . 9.9 t -85.89 92.01 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -102.76 100.76 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.42 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tmm? -93.26 153.38 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -148.2 115.3 6.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.619 ' HB ' HD12 ' A' ' 11' ' ' LEU . 10.9 t -135.79 161.4 35.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.428 ' ND2' ' CD2' ' A' ' 10' ' ' PHE . 1.6 p30 -123.16 27.98 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 9' ' ' ASN . 25.2 mt -104.18 153.43 38.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.01 -37.57 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.756 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.1 pt -37.72 -44.17 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.756 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.4 m-85 -82.83 130.99 35.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -67.95 -50.21 57.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.18 148.65 22.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -39.86 15.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -148.2 142.78 26.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.0 t -156.43 170.09 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.7 p -135.63 128.21 30.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 108.308 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.6 m -143.37 171.67 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.581 ' HG3' HG21 ' A' ' 30' ' ' THR . 0.0 OUTLIER -108.98 112.16 24.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.685 ' NH1' HD12 ' A' ' 132' ' ' ILE . 16.6 mmt180 -121.67 128.39 51.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' HD3' ' CE2' ' A' ' 28' ' ' PHE . 21.7 mtm180 -97.07 159.37 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.501 ' CG ' ' HD3' ' A' ' 100' ' ' ARG . 39.9 t80 -54.09 -19.62 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 m -81.2 -49.07 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.962 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -46.57 -40.94 13.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CG ' HD22 ' A' ' 104' ' ' LEU . 38.9 m-85 -63.04 -44.15 96.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -54.94 -21.62 12.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 13.1 t90 -87.29 -37.95 16.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -55.14 22.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -49.89 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -44.14 -51.66 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.5 mm-40 -39.84 -35.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.528 ' CD1' HD11 ' A' ' 111' ' ' ILE . 37.1 mt -82.38 -51.92 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -54.69 -29.46 53.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.329 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -51.6 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -176.62 105.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER 171.15 123.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -23.22 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.462 HG12 ' CB ' ' A' ' 116' ' ' LEU . 6.8 mt -40.09 144.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.2 t -108.02 101.57 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' A' ' 63' ' ' LEU . 13.2 t -84.43 138.4 38.77 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.95 164.55 33.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.84 30.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.7 mt -86.53 149.58 49.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 96.62 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.35 113.97 0.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.01 152.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 56.47 82.17 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -124.08 162.07 24.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.41 131.7 38.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.84 111.07 23.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -174.17 112.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -41.18 147.5 0.44 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.614 ' N ' HD12 ' A' ' 83' ' ' LEU . 18.2 Cg_endo -75.03 109.37 2.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -48.44 -59.37 3.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -172.0 119.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.247 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.34 76.64 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.23 119.09 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -135.13 -163.24 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.6 -155.35 8.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 39.6 89.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 0.734 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -152.42 -64.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -65.31 140.64 58.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -60.38 -38.36 83.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.5 t -53.73 -57.26 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -48.95 -54.6 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.6 mt -49.04 -68.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -40.99 -51.57 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.35 -59.32 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.501 ' HD3' ' CG ' ' A' ' 53' ' ' TYR . 8.1 ttm180 -64.59 -45.52 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.446 ' HG3' ' CD1' ' A' ' 31' ' ' TYR . 6.7 ttp180 -53.25 -64.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -55.64 -41.38 73.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.76 -57.09 10.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.663 HD22 ' CG ' ' A' ' 56' ' ' PHE . 48.2 mt -53.51 -58.13 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.744 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 108' ' ' ILE . 1.1 tt0 -40.23 -47.73 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.69 -59.8 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 9.1 t80 -43.05 -57.62 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.619 HD12 HG21 ' A' ' 111' ' ' ILE . 3.4 tp -61.52 -44.17 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.09 -39.8 21.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.86 -40.36 16.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.619 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -56.36 -48.51 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.669 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -56.89 -62.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ALA . . . -37.6 -30.79 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 112' ' ' ALA . 4.9 t-80 -57.53 131.45 81.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.57 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.3 Cg_endo -75.01 -40.35 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 116' ' ' LEU . 6.2 mt -61.64 -34.83 76.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.554 ' HB1' HD22 ' A' ' 123' ' ' LEU . . . -75.07 -48.59 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.571 ' O ' HD12 ' A' ' 41' ' ' ILE . 59.1 mt-30 -44.41 -26.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -90.65 -38.78 12.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' ALA . 38.7 mm-40 -46.77 130.33 11.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -82.64 -21.82 34.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 12.0 p -69.0 -25.9 64.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 108.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.554 HD22 ' HB1' ' A' ' 117' ' ' ALA . 9.3 tp -79.2 -59.8 2.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 123' ' ' LEU . 27.9 m-70 -39.57 -54.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.42 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.8 OUTLIER -46.37 -55.4 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.823 ' HA ' HD11 ' A' ' 132' ' ' ILE . 33.2 t80 -40.56 -32.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.42 154.7 20.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 77.34 -54.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.07 111.5 11.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -50.19 -49.81 51.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.239 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -114.55 139.15 49.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.823 HD11 ' HA ' ' A' ' 126' ' ' PHE . 4.8 mt -88.66 118.86 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -78.5 105.5 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 132' ' ' ILE . 21.9 mtt85 -70.19 -5.98 31.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -109.14 41.33 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 136' ' ' TYR . 0.1 OUTLIER -88.39 175.46 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.95 112.36 64.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 122.73 7.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 136.72 171.72 12.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.62 109.29 20.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.5 m -73.58 -71.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -66.83 125.23 25.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.575 1.172 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.451 1.764 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 42.3 t -116.72 112.84 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 170.41 13.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -128.88 170.82 12.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.014 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.6 103.03 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.921 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.76 -169.46 4.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.56 -60.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 p 59.0 111.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.67 -161.36 28.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.2 p -42.78 137.86 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.646 ' HB2' HD21 ' A' ' 39' ' ' LEU . 7.4 p30 -66.45 155.74 36.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 4.5 p90 -150.77 122.72 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.74 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.7 tp -122.06 105.63 10.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -134.03 160.98 36.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.476 HD13 ' CG1' ' A' ' 108' ' ' ILE . 2.9 mt -133.3 149.17 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -118.72 140.86 49.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mt -135.69 103.73 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.86 -176.67 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 68.78 65.08 0.55 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 111.78 3.41 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -112.46 125.78 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -111.04 126.76 55.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.742 HG13 ' CE2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -139.38 164.06 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.511 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 113.3 169.08 17.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' ARG . 54.1 t -67.18 136.2 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.41 83.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER 170.87 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.91 20.27 12.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.3 177.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.742 ' CE2' HG13 ' A' ' 21' ' ' VAL . 2.1 p90 -140.5 171.08 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.4 m -140.48 154.18 46.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p -149.7 167.29 26.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 2.7 m-85 -134.26 162.38 32.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.27 100.63 11.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.4 t -82.91 93.52 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.2 114.49 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.336 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.503 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.7 tmm? -106.41 153.64 21.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -145.52 113.71 6.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.608 ' HB ' HD12 ' A' ' 11' ' ' LEU . 13.6 t -136.34 167.04 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.435 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -130.18 21.51 5.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 9' ' ' ASN . 22.1 mt -96.88 153.23 38.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.02 -37.94 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.727 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.2 pt -37.66 -43.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.727 ' CE1' HD11 ' A' ' 41' ' ' ILE . 77.3 m-85 -80.9 138.18 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -53.08 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.622 HD12 ' HB3' ' A' ' 128' ' ' GLN . 12.9 mt -97.14 151.84 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -87.56 -34.83 18.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -155.67 142.89 19.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 19.4 t -156.67 166.28 33.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.5 p -133.87 123.47 24.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.44 179.26 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.99 136.01 38.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -155.87 166.67 32.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' CZ ' ' CB ' ' A' ' 52' ' ' ARG . 4.4 mtp-105 -99.68 151.85 20.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' ASP . 8.5 t80 -41.43 -53.97 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' TYR . 4.0 m -37.45 -32.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' TYR . 67.1 t0 -51.93 -59.34 4.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.842 ' CD2' HD22 ' A' ' 104' ' ' LEU . 51.9 m-85 -47.07 -45.8 22.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -54.8 -43.8 73.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -69.69 -25.12 63.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 0.0 107.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.787 HD11 HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -78.12 -60.15 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.56 ' HA ' HD12 ' A' ' 63' ' ' LEU . 30.8 tttm -43.13 -63.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' GLU . 37.4 t30 -43.07 -56.43 3.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -47.14 -34.3 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.826 HD13 HD11 ' A' ' 111' ' ' ILE . 14.0 mt -77.44 -33.15 54.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' ASN . 15.8 mm-40 -86.97 43.32 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -68.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t0 173.47 49.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -123.55 -147.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -109.81 5.33 22.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.457 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.6 mt -56.74 130.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -104.5 100.72 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.3 t -98.18 136.23 21.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.97 165.62 30.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.529 1.805 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 148.34 34.86 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 18.6 mt -93.38 144.14 27.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -74.97 63.7 5.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.759 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -129.03 -139.63 4.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.38 143.15 32.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.37 153.08 50.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 tp 63.84 81.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.38 165.43 16.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.08 159.52 42.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.32 -55.19 37.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 4.6 mm? -62.05 147.45 90.35 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 83' ' ' LEU . 18.4 Cg_endo -74.97 138.71 23.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -122.55 171.37 9.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 142.5 36.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.14 101.16 0.14 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 169.13 -32.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -126.82 -54.36 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 91' ' ' ILE . . . -41.69 -81.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.644 HG23 ' CE2' ' A' ' 96' ' ' PHE . 1.8 mt 39.45 86.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 93' ' ' GLU . 21.8 p90 -165.49 -43.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.531 ' N ' ' CG ' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -47.59 142.63 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.343 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -72.03 -5.68 36.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.58 -33.97 13.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.644 ' CE2' HG23 ' A' ' 91' ' ' ILE . 78.9 t80 -69.68 -52.61 24.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.4 mt -53.84 -49.28 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -50.88 64.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -39.81 14.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -78.52 -50.47 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -38.88 -65.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -64.05 -48.43 76.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -38.4 -58.2 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.842 HD22 ' CD2' ' A' ' 56' ' ' PHE . 79.3 mt -59.18 -57.12 14.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.16 -48.07 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -61.92 -52.79 62.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.555 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -49.48 -56.54 9.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.774 HD12 HG21 ' A' ' 111' ' ' ILE . 4.5 tp -61.83 -50.6 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.453 ' N ' HG23 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -42.54 -38.48 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.14 -41.72 13.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.826 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -55.16 -50.12 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.74 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -50.48 -54.01 25.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.7 -37.65 2.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -54.84 132.15 66.39 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.548 0.793 . . . . 0.0 109.632 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -47.48 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.486 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.4 mt -52.99 -36.66 60.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.3 -45.43 55.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.627 ' O ' HD12 ' A' ' 41' ' ' ILE . 62.9 mt-30 -51.99 -21.7 3.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -92.09 -34.98 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -51.53 142.22 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -83.28 -45.75 13.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 22.8 p -44.28 -41.24 5.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.28 -55.37 29.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 127' ' ' LEU . 82.3 m-70 -46.48 -38.7 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.604 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.409 ' C ' ' N ' ' A' ' 127' ' ' LEU . 1.3 ttm -67.88 -54.32 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.478 ' CZ ' ' CD1' ' A' ' 56' ' ' PHE . 36.6 t80 -41.89 -27.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 124' ' ' HIS . 3.2 mt -115.97 155.96 27.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.622 ' HB3' HD12 ' A' ' 44' ' ' LEU . 26.6 mt-30 75.12 -55.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.31 136.35 42.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -71.27 -73.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -95.3 138.8 32.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' A' ' 126' ' ' PHE . 26.7 mt -88.3 139.07 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -97.74 126.66 43.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.34 25.31 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -140.3 25.21 2.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -80.68 175.5 10.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.1 t -108.81 124.25 34.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 178.61 7.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -159.86 119.23 0.88 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -73.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.6 m -55.14 133.7 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -145.07 -124.04 1.68 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.54 1.81 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.5 118.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.8 p -114.81 -58.48 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t 62.5 106.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 0.733 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -150.21 156.05 40.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.64 112.78 0.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -151.46 136.48 17.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.998 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.45 152.65 20.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.53 -132.43 1.34 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.48 173.2 12.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.649 ' HB2' HD21 ' A' ' 39' ' ' LEU . 2.6 p-10 -90.82 144.13 26.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.546 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 22.2 p90 -151.01 129.4 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.669 HD12 ' HB ' ' A' ' 37' ' ' THR . 5.4 tp -124.4 106.15 9.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -132.31 164.11 27.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.1 mt -135.83 157.72 38.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.66 132.45 49.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.68 98.73 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -152.4 -175.2 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t30 67.41 71.71 0.41 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 141.3 26.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -137.68 117.79 13.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 m -99.57 146.88 25.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.597 ' CG1' ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -122.51 162.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 52.02 174.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -140.17 140.26 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 0.716 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.85 -142.84 12.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.6 mtm-85 -101.1 171.9 7.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' ARG . . . 40.19 70.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.477 ' CD ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -109.0 -177.98 3.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.597 ' CE1' ' CG1' ' A' ' 21' ' ' VAL . 2.3 p90 -154.29 173.32 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -140.66 166.37 24.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.502 HG23 ' CE2' ' A' ' 28' ' ' PHE . 1.2 p -125.37 136.9 53.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.4 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -111.49 159.11 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.99 104.63 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.8 t -84.47 95.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -107.09 118.62 37.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.673 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.6 ttp -114.71 142.45 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -137.48 148.87 46.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.719 HG21 ' CD1' ' A' ' 42' ' ' PHE . 5.4 t -171.43 163.89 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.86 12.06 10.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 9' ' ' ASN . 28.2 mt -82.71 155.35 68.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.02 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.773 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.1 pt -38.02 -45.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.773 ' CE1' HD11 ' A' ' 41' ' ' ILE . 85.1 m-85 -83.42 127.09 33.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -71.4 -41.53 69.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.96 140.77 31.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -77.02 -30.11 55.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.23 144.45 19.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 p -153.59 147.76 25.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 p -124.44 132.03 53.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 108.307 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.4 m -142.71 175.52 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -124.32 122.65 38.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.727 ' NH2' HD12 ' A' ' 132' ' ' ILE . 23.9 mmm180 -146.18 142.49 28.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.06 179.45 6.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.483 ' HD1' HD11 ' A' ' 104' ' ' LEU . 8.6 t80 -71.04 -29.96 66.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -34.72 78.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.595 ' OD2' ' CE1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -46.29 -55.76 6.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.773 ' CD2' HD22 ' A' ' 104' ' ' LEU . 58.5 m-85 -48.15 -55.47 10.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -39.71 -47.73 2.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -58.45 -64.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.667 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -44.32 -45.08 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.572 ' HA ' HD12 ' A' ' 63' ' ' LEU . 13.0 tttm -59.28 -58.24 9.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -52.6 -37.9 59.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.58 -16.7 40.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.664 HD13 HD11 ' A' ' 111' ' ' ILE . 5.8 mt -98.35 -24.81 15.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.69 -25.5 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -58.61 -25.52 62.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 67' ' ' SER . 6.5 t70 174.5 110.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 1.4 m 157.8 131.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.76 44.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.556 HG23 ' CE1' ' A' ' 114' ' ' HIS . 7.5 mt -103.39 153.13 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.4 t -96.0 100.47 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 38.8 t -86.93 136.66 33.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 157.74 42.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.442 1.759 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.72 31.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.9 mt -86.54 147.6 44.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 70.14 5.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.534 1.807 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.7 109.44 0.37 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.94 104.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.62 153.17 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.9 tp -103.97 154.43 19.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 81' ' ' ARG . 5.3 mttt -87.28 -76.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER 78.39 158.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 60.31 149.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.47 157.83 34.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 128.34 11.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -88.77 -47.48 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.26 80.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.23 -145.52 18.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -134.28 163.86 28.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -61.85 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.73 136.19 2.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.502 HD13 ' CZ ' ' A' ' 96' ' ' PHE . 2.0 pp -143.99 106.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -150.49 89.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -147.7 142.88 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -46.2 -48.03 17.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.59 -60.85 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.502 ' CZ ' HD13 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -46.34 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.1 mt -48.99 -46.28 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.97 -49.46 76.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -57.36 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -62.82 -34.77 78.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -57.86 -56.51 20.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.263 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -66.44 -50.89 61.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.46 -64.85 1.46 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.773 HD22 ' CD2' ' A' ' 56' ' ' PHE . 55.3 mt -48.53 -56.33 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.88 -44.0 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -54.86 23.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.5 t80 -44.99 -56.22 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.54 HD12 HG21 ' A' ' 111' ' ' ILE . 3.9 tp -63.98 -47.32 91.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.05 -38.2 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.98 -41.98 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.664 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -56.6 -50.84 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.586 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.15 -58.36 7.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.5 -40.39 0.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.556 ' CE1' HG23 ' A' ' 69' ' ' ILE . 5.6 t-80 -51.01 131.52 30.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 109.601 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.1 Cg_endo -75.01 -44.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' A' ' 69' ' ' ILE . 8.8 mt -58.57 -33.51 70.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.96 -41.81 61.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.656 ' O ' HD12 ' A' ' 41' ' ' ILE . 70.2 mt-30 -55.73 -19.5 11.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -91.46 -35.91 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -49.36 137.2 14.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -84.56 -19.84 32.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -55.67 19.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 108.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.5 tp -51.44 -60.96 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -39.63 -33.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.841 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.4 OUTLIER -69.27 -62.81 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.812 ' HA ' HD11 ' A' ' 132' ' ' ILE . 2.5 t80 -36.47 -31.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.673 HD13 ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -110.46 160.23 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 127' ' ' LEU . 77.1 mt-30 73.4 -56.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.249 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.32 118.34 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.43 -49.03 73.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -123.06 129.09 51.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.841 HG23 ' SD ' ' A' ' 125' ' ' MET . 57.8 mt -74.89 126.64 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 134' ' ' ARG . 56.1 m-20 -91.92 82.22 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 133' ' ' ASP . 8.1 mtm180 -37.59 156.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 135' ' ' ASN . 18.9 t30 40.97 66.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -83.23 171.15 13.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.4 t -107.86 115.49 58.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 146.42 32.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.791 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -108.46 5.87 33.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.421 1.075 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.65 103.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 121.28 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -132.29 100.57 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.35 16.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.76 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 29.2 m -115.63 -60.27 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.3 t 57.84 87.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -178.33 149.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -169.16 166.7 10.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.81 141.16 4.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -153.58 169.55 22.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -165.54 165.65 18.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.74 -171.96 22.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 t -52.74 166.12 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.951 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.635 ' HB3' HD21 ' A' ' 39' ' ' LEU . 7.1 m-80 -116.47 153.62 31.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 17.0 p90 -151.76 122.37 7.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.814 HD21 ' HB1' ' A' ' 112' ' ' ALA . 3.9 tp -124.75 106.64 10.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -130.97 163.32 27.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.2 mt -134.01 159.89 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 2.6 m-20 -130.8 146.94 52.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.506 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.2 mt -137.01 101.54 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 32' ' ' GLU . 47.4 p90 -152.28 -172.73 4.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.3 t-20 64.79 61.31 1.33 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -74.96 99.22 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -96.62 134.85 39.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -91.33 155.08 18.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.074 HG21 ' CE1' ' A' ' 28' ' ' PHE . 9.1 t -101.8 166.36 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -41.15 144.71 0.61 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 23' ' ' VAL . 2.0 p -82.41 148.43 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.0 -61.69 0.05 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -167.17 126.74 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 46.94 46.81 15.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -46.83 167.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 1.074 ' CE1' HG21 ' A' ' 21' ' ' VAL . 4.1 p90 -141.95 174.1 10.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 30' ' ' THR . 1.1 m -129.88 164.18 24.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.379 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.5 HG22 ' HE2' ' A' ' 28' ' ' PHE . 72.8 p -116.83 -178.59 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.506 ' HB3' HG23 ' A' ' 15' ' ' ILE . 78.3 m-85 -149.69 135.86 18.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 3.2 mp0 -77.4 104.35 7.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.5 t -84.21 98.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -108.55 118.96 38.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.913 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.0 ttp -114.21 142.55 46.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.5 ptt180 -132.52 149.93 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.616 ' HB ' HD12 ' A' ' 11' ' ' LEU . 3.4 t -173.82 168.81 4.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -129.98 13.63 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 9' ' ' ASN . 21.9 mt -84.03 156.74 63.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.0 -38.28 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.481 1.78 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.776 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.1 pt -38.62 -44.9 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.776 ' CE1' HD11 ' A' ' 41' ' ' ILE . 83.0 m-85 -84.31 133.14 34.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.78 -50.67 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.82 135.12 33.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -72.16 -29.18 63.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -164.71 142.05 6.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 m -156.83 164.49 38.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.79 147.71 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.55 HG11 ' O ' ' A' ' 127' ' ' LEU . 26.2 m -148.7 163.87 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -122.9 116.87 24.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -147.83 143.27 27.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -70.05 156.58 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.283 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.464 ' HD1' HD21 ' A' ' 104' ' ' LEU . 2.7 t80 -47.04 -39.56 13.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -19.58 5.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' CE2' ' A' ' 126' ' ' PHE . 5.5 p-10 -62.81 -37.13 85.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.722 ' CD2' HD22 ' A' ' 104' ' ' LEU . 41.3 m-85 -69.86 -34.57 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.056 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 5.4 mt-10 -67.01 -21.63 65.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' HD13 ' A' ' 132' ' ' ILE . 33.3 t90 -87.66 -44.87 10.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.597 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.09 -52.36 64.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -51.63 -68.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.15 -44.13 7.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' CG ' ' SG ' ' A' ' 122' ' ' CYS . 0.0 OUTLIER -45.13 -34.28 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.515 ' CD1' HD11 ' A' ' 111' ' ' ILE . 27.1 mt -77.2 -55.52 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.08 -35.75 64.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.68 -58.11 4.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -152.12 99.29 2.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.91 -36.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.14 11.82 8.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.527 HG23 ' CE1' ' A' ' 114' ' ' HIS . 16.0 mt -63.79 152.93 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.9 t -85.97 101.24 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 20.8 t -99.27 138.47 20.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.5 Cg_endo -74.99 164.82 32.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.798 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 145.66 31.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 29.1 mt -85.53 151.26 55.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 61.87 5.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -179.77 136.68 2.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -147.56 152.92 38.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 62.46 96.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.45 123.81 45.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.06 122.04 22.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.0 140.76 31.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 53.66 70.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.336 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.795 ' C ' HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -45.85 149.56 1.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.635 ' N ' HD22 ' A' ' 83' ' ' LEU . 18.3 Cg_endo -75.01 115.79 4.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.784 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.63 139.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.09 92.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 124.63 136.52 4.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.61 163.19 38.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -61.24 2.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 100.77 134.42 8.51 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.499 ' O ' HD12 ' A' ' 91' ' ' ILE . 2.1 pp -138.83 108.68 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 9.1 p90 -145.87 -47.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' PHE . 5.4 mt-10 -38.97 152.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -87.14 -17.95 31.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.24 -52.37 19.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLU . 47.4 t80 -49.15 -67.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.8 mt -40.82 -55.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -45.34 -43.56 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -54.76 -65.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -57.38 -51.75 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -66.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.73 -48.35 59.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -47.09 -51.13 14.6 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.552 1.158 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.722 HD22 ' CD2' ' A' ' 56' ' ' PHE . 88.9 mt -62.79 -54.47 38.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -50.18 26.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -60.97 -53.79 52.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.0 t80 -45.58 -57.99 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.687 HD12 HG21 ' A' ' 111' ' ' ILE . 3.5 tp -63.24 -48.85 85.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.422 ' N ' HG23 ' A' ' 108' ' ' ILE . 1.1 m-80 -43.1 -35.69 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.71 -43.04 10.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.687 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -54.31 -48.68 67.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.814 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -54.78 -57.68 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.02 -36.79 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.527 ' CE1' HG23 ' A' ' 69' ' ' ILE . 5.0 t-80 -47.99 133.81 11.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.26 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 116' ' ' LEU . 7.2 mt -63.07 -28.4 70.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.13 -47.21 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.696 ' O ' HD12 ' A' ' 41' ' ' ILE . 70.5 mt-30 -49.05 -23.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.48 -42.57 12.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -54.56 129.33 35.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -81.32 -25.27 36.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.43 ' SG ' ' CG ' ' A' ' 62' ' ' GLU . 26.3 p -59.66 -24.25 63.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.86 -48.87 42.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.59 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 41.3 m-70 -60.04 -52.91 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.61 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.423 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 1.1 ttm -49.94 -33.23 16.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.597 ' CD1' HD22 ' A' ' 59' ' ' LEU . 32.9 t80 -77.96 -16.14 58.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.913 HD13 ' SD ' ' A' ' 35' ' ' MET . 36.9 mt -103.19 -93.71 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 127' ' ' LEU . 74.6 mt-30 -36.23 -67.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.46 142.02 53.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.12 -72.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.04 124.16 30.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.556 HD13 ' CZ3' ' A' ' 58' ' ' TRP . 26.6 mt -74.48 115.41 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 134' ' ' ARG . 39.2 t70 -79.35 80.49 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 133' ' ' ASP . 4.6 mtt180 -37.44 147.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 135' ' ' ASN . 12.3 t30 46.6 69.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -101.51 -177.02 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 73.4 t -114.83 114.05 44.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 73.46 4.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 53.76 179.82 0.13 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -103.31 86.07 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.349 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.7 t -168.94 -56.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 116.8 156.14 10.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 128.11 11.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 17.6 p -97.62 158.64 15.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.9 m -78.66 169.12 18.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.021 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 m -155.6 -54.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 0.725 . . . . 0.0 110.02 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t 62.0 146.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.48 -167.7 14.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.65 159.61 33.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.03 142.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.58 143.8 7.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.41 145.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.603 ' HB2' HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -110.15 157.91 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.4 p90 -154.79 124.21 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.703 HD21 ' HB1' ' A' ' 112' ' ' ALA . 7.0 tp -127.98 105.17 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -130.99 159.93 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.1 mt -135.98 132.76 50.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -103.51 141.89 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.3 mt -128.91 101.47 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -151.85 -174.9 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.7 m-20 63.46 64.0 1.46 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.1 Cg_endo -74.98 117.45 4.92 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 110.969 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.46 142.09 47.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 1.001 HG23 ' O ' ' A' ' 28' ' ' PHE . 87.3 m -116.91 133.11 56.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.392 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.534 HG13 ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -112.65 162.34 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.479 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -83.29 136.02 14.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.565 HG12 ' H ' ' A' ' 25' ' ' ARG . 45.1 t -154.06 148.21 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.45 -23.67 43.2 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' H ' HG12 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -70.36 -155.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.249 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 27' ' ' ARG . . . -91.77 31.58 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HD3' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER 54.52 166.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 1.001 ' O ' HG23 ' A' ' 20' ' ' THR . 3.7 p90 -161.83 174.44 13.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.9 m -125.2 156.54 38.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.787 HG22 ' CE2' ' A' ' 28' ' ' PHE . 51.9 p -116.41 -175.94 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.657 ' HB3' HG23 ' A' ' 15' ' ' ILE . 81.7 m-85 -150.51 136.77 18.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.96 101.14 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.605 HG21 ' HB2' ' A' ' 51' ' ' ARG . 6.4 t -81.17 104.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -108.34 100.04 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.546 ' SD ' HD13 ' A' ' 127' ' ' LEU . 5.4 ttp -94.95 144.31 25.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.2 ttt180 -143.13 139.62 30.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.543 HG21 ' CD1' ' A' ' 42' ' ' PHE . 5.8 t -166.68 169.44 13.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -124.38 8.86 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 9' ' ' ASN . 21.8 mt -74.93 152.95 86.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -75.03 -37.73 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.425 1.75 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.784 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.3 pt -37.98 -44.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.784 ' CE1' HD11 ' A' ' 41' ' ' ILE . 82.5 m-85 -83.26 139.85 32.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -80.06 -41.13 26.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mt -103.29 146.73 28.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -82.83 -34.8 26.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.7 148.29 34.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.4 p -156.43 159.79 39.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.7 m -136.02 117.23 14.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.2 m -139.13 160.51 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.26 121.95 43.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.605 ' HB2' HG21 ' A' ' 33' ' ' VAL . 2.0 mmt85 -125.38 138.43 54.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.122 . . . . 0.0 110.246 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -90.12 160.66 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.514 ' CG ' ' HD3' ' A' ' 100' ' ' ARG . 10.0 t80 -60.78 -27.87 68.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -41.64 23.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.442 ' CB ' ' HD3' ' A' ' 51' ' ' ARG . 76.8 m-20 -45.01 -41.12 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CD2' HD22 ' A' ' 104' ' ' LEU . 41.7 m-85 -62.31 -41.22 98.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -55.54 -24.94 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 52.9 t90 -79.68 -45.17 19.48 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.692 HD11 HD11 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -65.77 -54.94 20.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.409 ' CG ' HG11 ' A' ' 71' ' ' VAL . 2.5 tttm -41.74 -51.43 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' GLU . 51.0 t30 -60.32 -49.18 78.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.91 -24.64 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.899 HD13 HD11 ' A' ' 111' ' ' ILE . 9.9 mt -90.3 -32.2 16.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 61' ' ' ASN . 3.1 mm-40 -87.08 43.18 1.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -67.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.7 t70 171.45 63.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 m -135.29 26.32 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.51 20.97 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.528 HG12 HD12 ' A' ' 116' ' ' LEU . 4.8 mt -80.45 136.11 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.0 t -102.81 114.72 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.3 t -107.4 138.11 19.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.99 162.41 37.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.18 31.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 18.7 mt -78.9 144.87 64.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 97.66 1.1 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.47 1.774 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 153.27 143.32 3.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.33 162.08 16.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.747 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -172.59 135.59 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.89 157.1 1.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.34 108.38 18.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.94 93.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 65.18 115.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.96 153.85 80.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 86' ' ' ARG . 18.3 Cg_endo -75.01 90.4 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 57.09 -85.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 84' ' ' PRO . 5.8 mmt180 -98.91 -81.42 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.74 -149.67 10.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.5 113.35 24.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.39 74.67 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 98.31 128.37 6.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.514 HD13 ' CE2' ' A' ' 96' ' ' PHE . 2.2 pp -140.27 108.99 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -170.53 96.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -141.51 150.65 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.25 -54.21 7.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.32 -51.8 24.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.514 ' CE2' HD13 ' A' ' 91' ' ' ILE . 1.5 t80 -52.11 -54.68 27.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.9 mt -58.13 -61.08 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.5 -53.57 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.27 -58.42 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' HD3' ' CG ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -63.84 -49.95 70.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -41.83 -69.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -59.15 -46.82 87.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -44.81 -68.16 0.99 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 111.006 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.558 HD22 ' CD2' ' A' ' 56' ' ' PHE . 43.8 mt -48.33 -46.66 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.41 -55.74 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -45.85 84.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.558 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.0 t80 -54.62 -59.56 4.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.779 HD12 HG21 ' A' ' 111' ' ' ILE . 4.3 tp -61.99 -41.54 91.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.92 -42.61 37.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -40.52 19.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.899 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -55.33 -50.59 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.703 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -52.84 -49.65 65.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -48.96 -22.19 2.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.1 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 115' ' ' PRO . 7.9 t-80 -69.89 135.06 87.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.587 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.4 Cg_endo -74.97 -53.67 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.528 HD12 HG12 ' A' ' 69' ' ' ILE . 8.3 mt -47.45 -40.9 19.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.76 -49.31 59.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.51 ' O ' HD12 ' A' ' 41' ' ' ILE . 50.9 mt-30 -52.38 -27.27 15.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -35.45 18.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -56.42 145.39 27.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -85.17 -32.03 22.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.42 ' SG ' ' N ' ' A' ' 123' ' ' LEU . 22.5 p -54.13 -43.19 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.42 ' N ' ' SG ' ' A' ' 122' ' ' CYS . 7.8 tp -65.4 -61.61 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -41.74 -54.86 3.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.584 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.577 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.7 OUTLIER -52.62 -53.02 52.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.057 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.577 ' CG ' HD22 ' A' ' 59' ' ' LEU . 28.8 t80 -44.16 -26.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.546 HD13 ' SD ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -114.04 160.15 19.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 72.25 -56.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -72.53 118.35 15.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -46.39 -59.26 3.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -116.07 171.21 7.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.577 HG23 ' SD ' ' A' ' 125' ' ' MET . 33.8 mt -108.99 146.71 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' ARG . 0.9 OUTLIER -107.13 81.75 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 133' ' ' ASP . 5.8 mtm180 -38.3 138.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 61.06 61.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -89.81 175.19 7.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.7 t -101.65 113.11 65.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 119.47 5.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -109.0 -147.93 12.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.76 114.76 15.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -58.91 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -165.34 -145.31 4.37 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 155.27 43.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.543 1.812 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 78.8 p -129.65 142.12 50.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.0 p -131.06 107.05 8.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.43 102.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -175.64 154.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.38 136.77 2.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.61 110.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -145.88 159.89 42.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.12 92.1 0.09 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.68 163.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.761 ' HB3' HD21 ' A' ' 39' ' ' LEU . 5.0 m120 -114.64 163.41 15.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.2 p90 -158.14 125.12 4.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.785 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.5 tp -127.62 109.03 11.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -134.0 161.03 35.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.2 mt -136.38 151.96 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.13 146.18 47.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.412 ' N ' ' HG3' ' A' ' 105' ' ' GLU . 1.7 mt -138.43 101.48 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -151.98 -173.88 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t30 70.3 65.48 0.45 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 103.06 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -113.65 138.32 50.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.0 m -120.69 135.49 55.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.598 ' CG1' ' CE2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -112.25 163.91 8.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.507 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -95.44 142.21 15.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' ARG . 3.4 t -151.56 159.59 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.41 0.712 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.17 86.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER 42.5 54.31 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -167.87 32.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.12 166.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.598 ' CE2' ' CG1' ' A' ' 21' ' ' VAL . 2.9 p90 -157.4 172.77 17.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -140.36 150.97 44.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.546 HG22 ' HG2' ' A' ' 52' ' ' ARG . 1.1 p -143.59 129.05 19.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.415 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -93.04 150.57 20.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.78 115.94 17.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 t -97.38 115.68 37.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.77 100.99 7.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.722 ' SD ' HD13 ' A' ' 127' ' ' LEU . 5.0 ttp -97.38 143.89 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.0 OUTLIER -139.16 144.27 38.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.638 ' HB ' HD12 ' A' ' 11' ' ' LEU . 3.3 t -173.69 161.9 3.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -123.3 14.22 9.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.761 HD21 ' HB3' ' A' ' 9' ' ' ASN . 22.8 mt -81.34 154.74 71.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.04 -37.63 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.754 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.4 pt -38.17 -44.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.754 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.7 m-85 -83.16 135.23 34.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -74.76 -47.71 29.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mt -95.01 139.53 31.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -79.91 -27.79 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -161.45 142.29 11.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.23 170.7 21.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.509 ' O ' HG13 ' A' ' 49' ' ' VAL . 18.9 p -128.26 132.41 48.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 48' ' ' CYS . 28.8 m -156.23 168.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -129.27 144.58 51.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.661 ' HE ' HD11 ' A' ' 132' ' ' ILE . 42.3 mmt-85 -139.89 168.07 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.546 ' HG2' HG22 ' A' ' 30' ' ' THR . 14.4 mtm105 -120.37 157.52 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -49.2 -26.65 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.76 -47.39 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.58 -46.65 28.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.599 ' CG ' HD22 ' A' ' 104' ' ' LEU . 29.6 m-85 -55.25 -40.95 71.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -59.92 -39.49 85.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.451 ' C ' ' CE3' ' A' ' 58' ' ' TRP . 5.0 t90 -70.48 -24.81 62.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 107.955 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -80.03 -57.02 3.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 63' ' ' LEU . 21.6 tttm -50.73 -62.56 1.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -47.58 -37.81 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -59.39 -33.83 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.341 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.953 HD13 HD11 ' A' ' 111' ' ' ILE . 1.3 mt -85.88 -13.06 49.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.65 50.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -94.57 -67.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 3.3 t0 163.1 76.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 m -146.47 33.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt 51.17 23.1 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.469 HG12 ' CB ' ' A' ' 116' ' ' LEU . 5.3 mt -84.5 132.89 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.7 t -103.89 101.57 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.468 HG21 ' HB2' ' A' ' 63' ' ' LEU . 6.0 t -90.99 137.56 26.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -74.98 158.82 42.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.8 39.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 56' ' ' PHE . 17.8 mt -88.29 146.94 39.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.18 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.81 99.04 0.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.581 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -91.05 140.09 30.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 77' ' ' LYS . . . 170.36 148.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.8 87.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -163.54 149.69 11.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.82 109.87 4.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -166.26 112.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.77 150.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.3 2.93 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.462 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -49.64 142.04 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.049 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -71.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.64 165.49 27.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 2.6 t0 -107.3 -21.01 13.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 88' ' ' ASP . 7.3 mt-10 -161.46 128.61 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.64 -130.22 6.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.14 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.47 77.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.35 -52.42 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.86 126.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.08 -52.27 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -49.99 -58.18 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -46.46 -51.54 14.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.26 -60.05 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -51.9 60.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.77 -59.6 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -60.48 -52.56 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -63.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.64 -45.94 81.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -49.06 -64.1 3.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.599 HD22 ' CG ' ' A' ' 56' ' ' PHE . 79.8 mt -47.31 -56.87 5.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 1.4 tt0 -44.55 -42.77 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -54.74 18.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.6 t80 -43.24 -58.7 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.722 HD12 HG21 ' A' ' 111' ' ' ILE . 4.1 tp -61.86 -49.14 85.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' CG2' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -43.09 -35.28 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -91.11 -43.89 9.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.953 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -54.14 -43.77 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.785 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -61.18 -44.57 97.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.89 -33.43 50.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -56.52 132.76 77.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.591 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -45.44 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.523 1.802 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.469 ' CB ' HG12 ' A' ' 69' ' ' ILE . 8.5 mt -57.41 -31.75 66.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.2 -44.91 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 41' ' ' ILE . 68.5 mt-30 -53.11 -25.65 13.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.57 -33.07 17.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -57.7 136.46 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -21.45 29.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 17.5 p -65.82 -40.81 92.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.95 -61.42 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 125' ' ' MET . 74.6 m-70 -39.57 -58.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 124' ' ' HIS . 1.0 OUTLIER -37.45 -58.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.609 ' HA ' HD11 ' A' ' 132' ' ' ILE . 26.4 t80 -38.13 -34.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.722 HD13 ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -112.45 164.46 13.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 71.41 -56.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.352 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 126.6 28.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.34 -51.98 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -134.66 -175.56 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.661 HD11 ' HE ' ' A' ' 51' ' ' ARG . 16.3 mm -95.08 110.4 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -84.69 113.01 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -89.47 38.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -147.85 23.68 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -173.0 4.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 53.4 t -128.55 121.08 21.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 151.04 39.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.75 127.41 0.29 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.68 92.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.8 m -40.01 151.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -177.0 99.51 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 101.71 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.5 p -67.76 112.8 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.42 84.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 63.82 168.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.739 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.96 143.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.73 101.88 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -147.72 133.49 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -143.23 160.22 40.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.0 -150.11 21.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.123 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 156.23 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.97 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -81.96 155.87 25.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 41.5 p90 -150.71 129.62 12.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.558 1.161 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.666 HD12 ' HB ' ' A' ' 37' ' ' THR . 2.8 tp -127.78 108.68 10.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.7 164.17 27.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mt -137.27 158.24 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -133.9 142.46 47.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 mt -139.29 99.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -152.39 -174.24 4.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 7.3 t30 69.88 64.16 0.5 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.3 Cg_endo -74.98 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.66 131.55 55.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 m -92.28 146.64 23.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.408 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.703 HG13 ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -129.88 164.0 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.498 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -86.91 145.23 19.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.147 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 24' ' ' GLY . 46.8 t -143.88 161.55 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 23' ' ' VAL . . . -42.04 -60.42 2.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -162.68 45.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -164.57 59.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mtm-85 -45.47 161.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.703 ' CE1' HG13 ' A' ' 21' ' ' VAL . 4.1 p90 -165.33 174.71 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 30' ' ' THR . 5.5 m -126.66 165.55 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.521 HG23 ' CE2' ' A' ' 28' ' ' PHE . 1.4 p -123.46 -177.19 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -150.56 142.13 23.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.96 94.52 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 45.2 t -77.65 91.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -109.96 128.85 55.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.703 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.1 tmm? -117.98 153.44 33.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 7.4 ptm180 -139.65 120.03 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.666 ' HB ' HD12 ' A' ' 11' ' ' LEU . 7.0 t -148.5 165.68 30.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -129.38 12.22 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.0 mt -82.93 154.69 67.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -37.3 2.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.857 HD12 ' O ' ' A' ' 118' ' ' GLN . 7.8 pt -38.91 -44.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' A' ' 41' ' ' ILE . 78.4 m-85 -82.41 129.09 34.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -47.87 55.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mt -92.25 149.61 21.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -90.02 -39.85 12.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.09 134.81 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -156.76 168.32 27.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.9 p -136.21 153.37 51.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 108.289 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.646 HG11 ' O ' ' A' ' 127' ' ' LEU . 31.9 m -152.3 164.77 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.455 ' CD ' HG21 ' A' ' 30' ' ' THR . 15.2 ttt180 -115.35 115.96 27.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' NE ' ' OD2' ' A' ' 55' ' ' ASP . 21.1 mmm180 -147.44 161.83 40.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -102.23 179.16 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.96 -38.89 92.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -36.61 47.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' CG ' ' CE1' ' A' ' 126' ' ' PHE . 42.1 t0 -49.45 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.856 ' CG ' HD22 ' A' ' 104' ' ' LEU . 89.1 m-85 -37.98 -50.65 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.65 -49.13 38.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 75.3 t90 -58.79 -55.77 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 107.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -51.94 -52.49 49.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.615 ' HD3' HD12 ' A' ' 74' ' ' LEU . 8.4 tttm -49.45 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 64' ' ' GLU . 6.0 t-20 -45.95 -47.83 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -40.96 -30.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.503 ' CD1' HD11 ' A' ' 111' ' ' ILE . 33.0 mt -81.2 -48.03 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.2 mt-10 -61.83 -35.84 79.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.69 -56.94 1.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 67' ' ' SER . 27.4 t70 -156.16 101.34 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER 159.64 132.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 46.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 114' ' ' HIS . 9.6 mt -96.75 146.35 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.1 t -94.33 100.97 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 20.5 t -90.64 137.46 27.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.04 162.57 36.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.96 29.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.615 HD12 ' HD3' ' A' ' 60' ' ' LYS . 11.4 mt -93.55 148.8 36.14 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.4 Cg_endo -75.0 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.36 92.37 2.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.64 -172.28 4.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 41.29 83.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.31 77.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 179.92 4.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 57.13 166.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 67.77 120.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -83.31 158.57 63.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 68.0 5.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -161.23 140.94 10.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.53 139.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.02 -148.07 17.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.87 105.91 18.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -95.98 88.25 4.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.77 153.27 6.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.492 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 1.1 pp -140.76 107.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 91' ' ' ILE . 10.7 m-85 -159.57 71.37 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -129.73 125.5 36.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -41.68 -52.16 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.5 -52.2 65.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -49.75 -53.58 24.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.7 mt -54.94 -63.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -42.9 -54.04 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.69 -58.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -65.72 -48.3 72.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -40.86 -66.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.45 -47.63 81.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.16 -57.28 2.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.856 HD22 ' CG ' ' A' ' 56' ' ' PHE . 20.9 mt -56.78 -60.68 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.8 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.08 -47.77 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.51 -49.82 76.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.565 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.0 t80 -56.62 -57.54 11.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.521 HD12 HG21 ' A' ' 111' ' ' ILE . 9.4 tp -59.29 -37.21 67.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.445 ' O ' ' HB3' ' A' ' 112' ' ' ALA . 0.6 OUTLIER -52.6 -59.53 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -62.26 -50.95 69.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.521 HG21 HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -51.0 -37.01 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.567 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -60.72 -60.51 3.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.28 -35.62 1.88 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.574 ' CE1' HG23 ' A' ' 69' ' ' ILE . 5.5 t-80 -46.5 131.65 8.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.595 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.39 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.1 mt -62.09 -33.74 75.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' ' 114' ' ' HIS . . . -76.76 -45.52 28.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.857 ' O ' HD12 ' A' ' 41' ' ' ILE . 39.0 mt-30 -46.68 -24.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.21 -42.19 11.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -46.87 136.05 8.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.79 -27.06 22.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 30.1 p -60.09 -20.7 59.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.334 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.99 -54.73 5.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.687 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 94.8 m-70 -56.79 -52.66 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.58 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.405 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.4 OUTLIER -47.06 -42.42 18.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.534 ' CD2' HD22 ' A' ' 59' ' ' LEU . 18.0 t80 -69.21 -21.92 63.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.646 ' O ' HG11 ' A' ' 49' ' ' VAL . 58.9 mt -95.54 -92.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 127' ' ' LEU . 80.5 mt-30 -37.43 -68.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.24 146.16 44.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -87.51 -67.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.07 124.79 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 126' ' ' PHE . 10.2 mt -84.11 159.27 3.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.43 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 21.2 t0 -124.7 128.86 49.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.441 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -91.85 28.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -153.8 24.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.0 -172.5 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 80.2 t -112.5 114.89 49.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 176.72 9.53 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.464 1.77 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -123.49 117.84 3.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.123 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.99 -70.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.5 137.71 44.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -104.3 157.91 16.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 62.9 5.98 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.74 143.7 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.11 126.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -167.99 164.3 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.002 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.9 p -169.95 124.14 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.75 116.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.78 102.94 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.984 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -177.27 90.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.13 -171.9 40.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.51 168.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.77 ' HB2' HD21 ' A' ' 39' ' ' LEU . 6.9 p30 -102.65 148.68 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 16.7 p90 -145.87 128.38 16.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.529 HD21 ' HB1' ' A' ' 112' ' ' ALA . 9.5 tp -126.89 105.07 8.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -131.18 163.5 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.75 139.7 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -109.75 140.47 43.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.5 HD13 HG22 ' A' ' 33' ' ' VAL . 1.4 mm -127.77 99.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 17' ' ' ASN . 47.5 p90 -152.73 -174.71 5.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 7.8 t-20 69.17 64.63 0.54 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.05 143.57 29.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -147.96 119.2 7.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.42 HG23 ' HD3' ' A' ' 27' ' ' ARG . 49.2 m -76.36 148.04 37.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.689 HG13 ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -141.75 163.36 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.499 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 49.74 178.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.5 p -159.7 144.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.3 46.73 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 60.64 157.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 42.79 50.57 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' HD3' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -73.0 -177.87 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.689 ' CE1' HG13 ' A' ' 21' ' ' VAL . 3.0 p90 -140.49 174.5 10.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -140.06 165.9 26.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.459 HG23 ' CE2' ' A' ' 28' ' ' PHE . 6.1 p -126.43 141.83 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.451 ' CD2' ' HG3' ' A' ' 101' ' ' ARG . 60.8 m-85 -115.76 155.74 27.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.49 106.32 17.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.5 HG22 HD13 ' A' ' 15' ' ' ILE . 35.0 t -84.09 92.61 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -98.71 101.87 13.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.6 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.9 ttp -96.45 143.33 27.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' N ' ' HG2' ' A' ' 35' ' ' MET . 0.4 OUTLIER -139.33 146.39 40.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.591 HG21 ' CD1' ' A' ' 42' ' ' PHE . 4.9 t -173.59 165.53 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -123.61 15.33 9.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.77 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.1 mt -82.16 153.9 69.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -37.75 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.761 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.76 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.4 pt -38.2 -45.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.76 ' CE1' HD11 ' A' ' 41' ' ' ILE . 83.1 m-85 -82.39 136.37 34.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -76.25 -45.97 30.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -97.65 149.05 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -82.97 -36.02 25.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -151.49 143.42 23.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 p -154.87 142.95 20.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.0 m -110.41 119.58 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 30.3 m -133.02 -177.2 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -131.62 119.02 20.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.525 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -131.5 126.56 35.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -79.5 179.69 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -74.5 -32.5 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -67.53 -37.2 82.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.442 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 37.4 m-20 -54.13 -52.33 61.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.697 ' CD2' HD22 ' A' ' 104' ' ' LEU . 27.0 m-85 -50.94 -45.49 60.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -53.93 -30.2 45.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.477 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 24.0 t90 -82.09 -42.85 18.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.523 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -59.95 -55.3 35.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -46.34 -64.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 64' ' ' GLU . 8.0 t30 -47.46 -48.52 26.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -43.71 -45.49 7.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.533 ' CD1' HD11 ' A' ' 111' ' ' ILE . 51.4 mt -64.44 -38.2 90.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' ASN . 28.7 mm-40 -84.32 40.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -61.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -147.04 73.21 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.9 t -179.02 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER 69.91 17.53 7.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LYS . 5.5 mt -39.03 154.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.0 t -81.57 103.19 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 16.7 t -108.8 138.1 20.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.525 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.08 161.79 37.98 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.13 33.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 56' ' ' PHE . 17.2 mt -87.31 148.46 44.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 114.09 3.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.27 158.77 8.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.87 108.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.94 122.7 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.246 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tp -139.42 90.12 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt 65.34 115.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.44 136.09 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.31 -64.1 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.3 mt -108.16 153.46 41.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.56 7.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 50.62 177.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 60.04 105.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 154.11 -69.39 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.44 126.89 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.34 -60.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.03 91.5 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.934 HG23 ' CE2' ' A' ' 96' ' ' PHE . 17.6 mm -81.95 53.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 4.7 p90 -165.45 48.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.76 177.08 4.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -82.25 -31.51 30.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -25.29 65.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.934 ' CE2' HG23 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -73.48 -57.89 3.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.91 -42.11 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -56.17 24.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -59.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -52.05 67.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.451 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 18.6 ttp180 -40.5 -68.49 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -52.59 -53.57 44.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.78 -69.78 0.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.697 HD22 ' CD2' ' A' ' 56' ' ' PHE . 83.8 mt -47.47 -59.57 3.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.475 ' HG3' ' CG1' ' A' ' 15' ' ' ILE . 6.5 tt0 -42.03 -51.1 4.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -53.75 54.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.9 t80 -51.47 -59.45 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.645 HD12 HG21 ' A' ' 111' ' ' ILE . 5.4 tp -58.84 -40.18 79.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.81 -48.1 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -38.45 55.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.645 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -57.56 -51.84 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.529 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -53.47 -59.54 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.97 -37.28 0.97 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 115' ' ' PRO . 5.5 t-80 -52.19 132.3 41.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.747 . . . . 0.0 109.576 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.3 Cg_endo -75.03 -48.9 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 116' ' ' LEU . 7.0 mt -52.38 -37.84 57.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.422 ' HB1' HD22 ' A' ' 123' ' ' LEU . . . -71.32 -49.3 43.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.691 ' O ' HD12 ' A' ' 41' ' ' ILE . 59.9 mt-30 -47.97 -24.85 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.21 -34.94 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 56.7 mm-40 -54.07 140.29 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -85.09 -40.16 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 7.6 p -47.94 -46.12 31.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 108.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.422 HD22 ' HB1' ' A' ' 117' ' ' ALA . 6.5 tp -59.87 -57.2 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 127' ' ' LEU . 19.9 m-70 -41.87 -41.11 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.502 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.7 OUTLIER -61.33 -58.43 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.525 ' CZ ' ' HG2' ' A' ' 51' ' ' ARG . 11.2 t80 -37.19 -32.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.6 HD13 ' SD ' ' A' ' 35' ' ' MET . 4.8 mt -111.87 163.12 14.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 70.79 -57.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.84 151.01 47.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.407 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 11.8 tp10 -86.55 -69.21 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -103.89 129.05 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.816 HG22 ' H ' ' A' ' 134' ' ' ARG . 59.2 mt -69.21 131.52 33.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 135' ' ' ASN . 12.2 m-20 -91.74 29.22 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.816 ' H ' HG22 ' A' ' 132' ' ' ILE . 13.9 mtt180 35.76 -95.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.5 t30 -84.06 48.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -47.36 169.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 54.7 t -109.56 116.05 55.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.38 33.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -129.3 -138.2 4.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -107.54 -62.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.21 -61.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 170.54 -164.86 38.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -78.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.7 p -39.42 -58.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 p -173.2 159.85 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -178.68 163.62 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.43 68.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -155.64 123.6 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 110.038 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.1 141.77 3.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.045 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.17 -92.76 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.2 m -143.99 154.07 42.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.454 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.0 m-80 -80.19 162.59 24.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 17.5 p90 -156.19 124.83 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.617 HD21 ' HB1' ' A' ' 112' ' ' ALA . 7.0 tp -124.1 106.02 10.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -132.11 163.31 28.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.472 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.48 154.67 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -125.57 140.29 52.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mt -130.75 102.21 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -151.65 -174.97 5.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t30 62.66 69.08 0.93 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.373 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 131.77 14.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -132.18 124.22 28.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.4 m -84.26 144.31 28.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.553 HG13 ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -140.61 163.83 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.491 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 58.1 155.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.132 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.9 t -135.72 142.41 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.57 -91.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.435 ' O ' ' NH2' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -143.78 -62.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.72 51.28 0.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' NH2' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -48.39 173.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.553 ' CE1' HG13 ' A' ' 21' ' ' VAL . 4.0 p90 -133.32 174.19 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 30' ' ' THR . 1.2 m -140.56 166.51 24.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.51 HG22 ' HG2' ' A' ' 52' ' ' ARG . 4.2 p -123.64 -177.1 3.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -150.88 163.89 37.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.32 94.17 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG21 ' HB2' ' A' ' 51' ' ' ARG . 45.0 t -80.59 94.68 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -102.19 100.74 10.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.352 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.483 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.1 ttp -93.6 143.82 25.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.457 ' N ' ' HG2' ' A' ' 35' ' ' MET . 6.4 ttt180 -138.25 141.5 39.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.606 ' HB ' HD12 ' A' ' 11' ' ' LEU . 5.1 t -168.99 171.68 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -131.35 12.69 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.454 HD21 ' HB3' ' A' ' 9' ' ' ASN . 25.4 mt -79.04 153.79 77.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -74.98 -37.67 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.768 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.4 pt -37.94 -44.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 41' ' ' ILE . 80.7 m-85 -83.04 139.02 33.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -78.0 -51.66 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.7 mt -93.81 137.09 33.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -67.16 -45.17 77.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.23 143.44 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.93 169.15 23.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.1 p -120.81 128.6 53.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.1 m -136.57 -176.55 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -134.78 110.19 9.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HB2' HG21 ' A' ' 33' ' ' VAL . 14.8 mmp_? -113.09 147.95 36.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.51 ' HG2' HG22 ' A' ' 30' ' ' THR . 0.9 OUTLIER -114.7 152.31 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -42.56 -35.59 1.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 m -68.8 -50.15 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -44.18 -55.43 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.636 ' CD2' HD22 ' A' ' 104' ' ' LEU . 57.7 m-85 -47.2 -47.28 24.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.92 -46.69 71.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.517 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 38.1 t90 -63.1 -32.76 74.22 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.77 HD11 HD11 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -70.85 -56.43 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.525 ' HA ' HD12 ' A' ' 63' ' ' LEU . 10.6 tttm -44.62 -65.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' GLU . 1.3 t-20 -50.74 -53.05 34.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.517 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 15.5 mm-40 -43.85 -31.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.816 HD13 HD11 ' A' ' 111' ' ' ILE . 6.6 mt -80.92 -43.15 20.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' ASN . 1.9 mt-10 -60.56 -15.9 32.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -74.68 -38.89 62.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -52.73 -90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.87 67.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt 40.42 35.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.411 HG23 ' CE1' ' A' ' 114' ' ' HIS . 5.6 mt -40.91 152.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.406 ' HB ' ' NE2' ' A' ' 114' ' ' HIS . 70.4 t -81.93 101.2 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.447 ' CG1' ' HD2' ' A' ' 72' ' ' PRO . 39.5 t -111.71 140.4 23.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.0 166.15 29.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.506 1.792 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.25 31.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 mt -89.48 149.25 42.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 106.33 2.25 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -150.45 84.3 0.16 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 116.01 29.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -124.99 106.2 9.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.37 -177.0 3.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.59 114.96 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.67 153.73 22.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -127.49 52.65 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -93.92 154.3 40.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 139.14 23.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.63 147.46 6.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -172.12 -54.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.19 -142.31 6.23 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.08 105.56 11.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -83.61 73.79 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -105.95 -137.17 8.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.2 pp -138.0 105.18 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 0.802 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -163.07 55.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -128.52 137.48 51.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -41.47 -60.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -54.45 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -57.5 -47.98 80.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.1 mt -57.91 -60.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -46.44 -53.89 10.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -63.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -54.13 -55.33 28.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -42.24 -65.92 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -54.44 -50.88 66.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -41.95 -69.57 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.636 HD22 ' CD2' ' A' ' 56' ' ' PHE . 34.0 mt -48.01 -51.65 23.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.774 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -49.07 -55.19 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -47.93 83.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 12.9 t80 -52.6 -59.54 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.722 HD12 HG21 ' A' ' 111' ' ' ILE . 4.1 tp -61.2 -40.16 84.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -42.07 61.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -37.95 21.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.816 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -58.15 -51.83 66.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.617 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -48.3 -56.8 7.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -41.7 -32.06 0.82 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.411 ' CE1' HG23 ' A' ' 69' ' ' ILE . 8.3 t-80 -56.96 132.12 79.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 109.598 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.2 Cg_endo -74.99 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.9 mt -51.21 -40.61 59.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.9 69.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.231 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.692 ' O ' HD12 ' A' ' 41' ' ' ILE . 53.6 mt-30 -52.37 -21.22 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -92.97 -42.99 9.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -46.01 146.4 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -34.22 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 11.5 p -53.04 -35.59 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.7 tp -73.82 -56.58 4.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 127' ' ' LEU . 17.9 m-70 -40.74 -48.08 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -52.5 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.511 ' HA ' HD11 ' A' ' 132' ' ' ILE . 13.4 t80 -38.16 -34.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.483 HD13 ' SD ' ' A' ' 35' ' ' MET . 3.4 mt -113.88 158.46 21.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 76.51 -55.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.24 150.15 38.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -79.88 -70.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.231 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.06 133.28 45.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 126' ' ' PHE . 49.0 mt -77.65 163.95 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.487 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 1.1 m-20 -127.97 114.34 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.452 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -82.64 49.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -176.71 42.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.426 ' C ' ' CD1' ' A' ' 136' ' ' TYR . 9.1 p90 -82.42 175.6 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.32 116.74 59.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -168.68 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -98.33 129.47 9.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.84 163.49 39.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.4 p -88.37 87.14 7.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 89.69 114.98 1.52 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.3 13.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 16.3 p -163.52 -59.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.07 -59.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.86 119.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.015 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -158.85 165.84 33.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.71 102.27 0.77 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.6 131.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 0.733 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 p -154.1 164.21 38.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.68 -126.16 1.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.84 152.9 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.585 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.3 m120 -62.04 150.45 38.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 21.9 p90 -147.17 124.83 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.804 HD21 ' HB1' ' A' ' 112' ' ' ALA . 3.8 tp -121.61 108.81 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -132.63 162.08 32.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.478 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.3 mt -136.59 149.88 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.7 131.2 53.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 mt -124.7 99.55 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -152.52 -174.96 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 69.33 66.67 0.47 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 131.97 14.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -135.65 116.48 14.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.8 m -86.27 154.92 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.377 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -112.06 161.91 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.473 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -50.32 160.82 1.23 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.406 ' H ' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -43.15 164.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 0.77 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.27 44.13 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 60.75 120.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' ARG . . . 44.51 58.6 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.9 ptp180 -37.54 155.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.557 ' CE1' HG11 ' A' ' 21' ' ' VAL . 6.8 p90 -139.27 174.45 10.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 30' ' ' THR . 8.3 m -141.33 167.19 22.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.611 HG21 ' HD2' ' A' ' 50' ' ' ARG . 60.3 p -127.57 -175.29 3.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -149.52 153.77 37.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.12 99.82 7.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.47 HG21 ' HB2' ' A' ' 51' ' ' ARG . 45.2 t -80.95 98.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -108.55 99.9 9.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.572 ' SD ' HD13 ' A' ' 127' ' ' LEU . 4.1 ttp -93.15 143.73 25.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -134.17 140.06 46.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.556 ' HB ' HD12 ' A' ' 11' ' ' LEU . 3.6 t -169.64 163.04 10.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -127.33 17.13 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 9' ' ' ASN . 22.8 mt -83.8 155.76 64.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.5 Cg_endo -74.96 -38.56 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.801 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.9 pt -38.59 -44.77 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.801 ' CE1' HD11 ' A' ' 41' ' ' ILE . 84.4 m-85 -84.87 137.77 32.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -82.68 -45.44 14.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.763 HD12 ' HB3' ' A' ' 128' ' ' GLN . 15.2 mt -92.37 143.52 26.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -81.99 -42.39 19.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 1.6 tm-20 -151.32 141.75 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.88 169.62 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.471 ' O ' HG13 ' A' ' 49' ' ' VAL . 29.6 p -136.54 146.46 46.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 108.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 48' ' ' CYS . 35.6 m -156.31 -179.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.611 ' HD2' HG21 ' A' ' 30' ' ' THR . 3.2 ttt180 -109.79 116.88 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB2' HG21 ' A' ' 33' ' ' VAL . 14.4 mmp_? -129.81 141.89 50.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.248 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' NH2' ' OD2' ' A' ' 55' ' ' ASP . 7.9 mtm180 -110.9 156.18 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.422 ' HD1' HD21 ' A' ' 104' ' ' LEU . 30.1 t80 -51.0 -27.15 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 t -74.65 -46.76 35.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' OD2' ' NH2' ' A' ' 52' ' ' ARG . 89.6 m-20 -48.29 -48.25 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -53.71 -49.33 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -49.12 -49.73 40.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.595 ' CZ3' ' SG ' ' A' ' 122' ' ' CYS . 30.9 t90 -55.23 -53.45 55.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.046 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.563 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -56.77 -53.51 56.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -46.06 -58.08 3.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' GLU . 17.7 t30 -50.76 -53.44 31.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -45.88 -31.57 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.7 HD13 HD11 ' A' ' 111' ' ' ILE . 46.1 mt -81.57 -36.19 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.4 mt-10 -83.45 45.44 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.57 -66.83 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 t70 176.62 87.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.418 ' CB ' HG13 ' A' ' 69' ' ' ILE . 20.9 t -159.81 27.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt 46.86 25.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.418 HG13 ' CB ' ' A' ' 67' ' ' SER . 10.0 mt -83.1 134.79 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.3 t -100.51 101.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.516 HG13 ' HD2' ' A' ' 72' ' ' PRO . 59.4 t -96.14 140.66 22.35 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.516 ' HD2' HG13 ' A' ' 71' ' ' VAL . 18.3 Cg_endo -75.05 158.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.61 30.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 14.9 mt -86.77 142.35 34.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -75.02 86.79 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 77' ' ' LYS . . . -131.13 -94.37 0.65 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 76' ' ' GLY . 0.4 OUTLIER 85.87 -64.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 109.244 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.46 127.5 39.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.63 175.07 9.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.94 75.75 3.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.96 158.11 37.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -177.84 134.84 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 142.2 28.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 111.96 3.45 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.786 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 40.7 t80 179.47 121.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.65 164.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.73 116.62 1.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -174.03 136.96 0.54 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -122.04 -60.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.81 -126.76 1.78 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.507 HD13 ' CZ ' ' A' ' 96' ' ' PHE . 1.3 pp -139.45 108.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.459 ' O ' ' CD2' ' A' ' 92' ' ' PHE . 27.2 p90 -143.07 62.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -121.97 145.16 48.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -56.33 -51.34 68.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -47.58 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -59.06 -51.86 68.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 53.3 mt -49.56 -48.98 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.09 -60.4 3.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -42.0 -56.23 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -63.4 -55.2 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.268 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.0 ttp-105 -48.13 -67.46 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -59.12 -46.96 86.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . -45.14 -53.41 7.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.422 HD21 ' HD1' ' A' ' 53' ' ' TYR . 20.6 mt -58.84 -54.24 49.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.407 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.7 OUTLIER -45.02 -43.25 9.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -53.58 46.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.489 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -50.24 -55.08 16.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.747 HD12 HG21 ' A' ' 111' ' ' ILE . 5.0 tp -62.7 -43.07 98.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 105' ' ' GLU . 0.6 OUTLIER -47.78 -40.33 20.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -85.74 -42.53 14.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -54.1 -46.59 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.804 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.12 -62.25 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.76 -34.0 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 117' ' ' ALA . 6.2 t-80 -55.71 126.84 65.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.618 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -43.53 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.452 1.764 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.4 mt -58.59 -27.94 65.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 114' ' ' HIS . . . -83.47 -44.45 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.577 ' O ' HD12 ' A' ' 41' ' ' ILE . 48.9 mt-30 -51.3 -23.05 3.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -89.41 -35.2 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.468 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 65.2 mm-40 -53.57 135.77 39.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -74.56 -40.38 61.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.595 ' SG ' ' CZ3' ' A' ' 58' ' ' TRP . 53.5 t -45.25 -52.73 9.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.13 -55.19 38.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' LEU . 12.7 m-70 -45.45 -49.05 13.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.625 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' LEU . 1.4 ttm -63.0 -57.61 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.877 ' HA ' HD11 ' A' ' 132' ' ' ILE . 26.9 t80 -37.84 -30.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.572 HD13 ' SD ' ' A' ' 35' ' ' MET . 2.7 mt -112.26 153.99 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.763 ' HB3' HD12 ' A' ' 44' ' ' LEU . 54.6 mt-30 75.22 -55.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.19 144.77 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -83.62 -68.97 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.352 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -91.43 133.21 35.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.877 HD11 ' HA ' ' A' ' 126' ' ' PHE . 30.1 mt -98.4 150.73 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -113.07 112.94 24.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -76.7 54.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -179.4 43.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 136' ' ' TYR . 3.5 p90 -91.28 169.22 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 75.9 t -122.41 128.3 25.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.18 42.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.441 1.758 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -81.78 110.51 3.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 125.66 24.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 0.782 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.2 p 56.62 85.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -86.54 129.26 9.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 117.41 4.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.464 1.771 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.1 t -110.58 143.29 41.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.8 m -81.28 114.73 20.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.442 1.088 . . . . 0.0 110.983 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -162.94 140.36 7.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.994 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.15 172.75 6.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.36 90.91 0.35 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.47 167.2 31.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -170.23 142.58 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.01 -142.68 36.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.42 111.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.09 138.32 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 5.7 p90 -150.3 124.21 9.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.617 HD12 ' HB ' ' A' ' 37' ' ' THR . 7.0 tp -121.26 102.69 8.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -135.08 160.08 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.652 HD13 ' CG1' ' A' ' 108' ' ' ILE . 2.8 mp -126.08 153.4 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -118.2 140.08 50.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.7 mm -128.3 99.22 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -153.1 -174.35 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 68.85 64.22 0.57 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.4 Cg_endo -74.98 92.36 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -96.02 143.38 27.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 28' ' ' PHE . 11.5 m -132.78 123.05 25.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.699 HG13 ' CE2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -108.87 162.9 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.493 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . -82.76 125.07 6.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.46 ' CG2' ' C ' ' A' ' 22' ' ' GLY . 2.9 t -152.7 155.1 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 23' ' ' VAL . . . 35.29 -106.1 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.75 -47.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' ARG . . . -87.83 13.8 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER 34.89 -152.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.244 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.699 ' CE2' HG13 ' A' ' 21' ' ' VAL . 3.5 p90 -166.54 172.95 10.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.5 m -140.48 150.98 44.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.526 HG21 ' HG3' ' A' ' 50' ' ' ARG . 1.1 p -145.47 138.95 26.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.541 ' CE1' ' HG3' ' A' ' 101' ' ' ARG . 92.8 m-85 -99.49 147.04 25.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.39 97.3 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -77.68 91.39 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -106.48 122.34 46.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.588 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.7 tmm? -107.65 153.0 23.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -142.58 110.37 5.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.617 ' HB ' HD12 ' A' ' 11' ' ' LEU . 13.0 t -133.98 172.73 12.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -136.81 16.16 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.09 157.02 46.11 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -74.98 -37.97 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.769 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.7 pt -38.44 -44.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.769 ' CE1' HD11 ' A' ' 41' ' ' ILE . 79.8 m-85 -84.33 127.43 33.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -73.65 -44.47 56.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -92.0 139.45 30.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -75.94 -33.18 59.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -168.0 143.04 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.2 171.04 19.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 67.4 m -131.46 144.73 51.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.693 HG11 ' O ' ' A' ' 127' ' ' LEU . 15.6 m -146.09 164.06 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.526 ' HG3' HG21 ' A' ' 30' ' ' THR . 6.1 ttp180 -106.18 110.74 23.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.625 ' NH2' HD12 ' A' ' 132' ' ' ILE . 27.4 mmm180 -148.81 135.62 19.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.452 ' HG3' HG22 ' A' ' 30' ' ' THR . 5.1 mtm180 -89.14 -179.55 5.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 1.5 t80 -62.02 -36.93 83.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.89 -41.93 78.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.6 ' OD2' ' CE1' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -48.9 -59.56 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' CG ' HD22 ' A' ' 104' ' ' LEU . 62.6 m-85 -42.19 -46.79 4.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -42.7 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.475 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 25.8 t90 -65.61 -44.35 86.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 108.004 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.777 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -58.63 -51.58 69.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HG3' HG11 ' A' ' 71' ' ' VAL . 2.4 tttm -49.92 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' GLU . 8.3 t30 -46.51 -51.41 15.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.475 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 5.6 mm-40 -41.17 -29.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 111' ' ' ILE . 29.1 mt -82.78 -46.48 13.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' ASN . 2.5 mt-10 -63.98 -36.19 83.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.351 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.07 -67.55 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -137.43 87.18 2.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER 164.05 128.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -86.93 45.48 1.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.563 HG23 ' CE1' ' A' ' 114' ' ' HIS . 7.9 mt -88.67 147.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.2 t -90.33 100.52 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.445 HG11 ' HG3' ' A' ' 60' ' ' LYS . 7.1 t -93.27 134.86 26.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.94 163.3 35.71 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.18 32.26 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.464 1.77 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 56' ' ' PHE . 16.1 mt -93.43 151.64 40.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 81.83 2.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.48 101.03 0.24 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.01 -67.11 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.7 112.98 21.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 tp -96.41 -70.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 46.4 61.49 2.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 109.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.28 177.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.27 155.57 6.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 95.95 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.58 -43.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.93 142.32 23.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.98 -75.66 0.42 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -112.18 124.25 52.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 0.807 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -109.19 51.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.91 141.58 9.52 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.2 mp -81.91 74.94 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.74 -46.95 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.28 120.52 2.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -55.18 -51.67 65.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.76 -59.36 4.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -48.69 -43.88 37.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.2 mt -60.72 -59.76 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -51.34 54.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -62.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -60.51 -38.52 84.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.357 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.541 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 4.1 ttp180 -56.55 -70.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -55.28 -46.38 76.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.62 -60.01 5.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.485 HD22 ' CG ' ' A' ' 56' ' ' PHE . 86.9 mt -54.02 -61.97 1.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.99 -49.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -56.83 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.561 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 3.3 t80 -47.37 -57.57 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.652 ' CG1' HD13 ' A' ' 13' ' ' ILE . 3.5 tp -61.26 -40.17 85.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -44.83 64.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.17 -39.33 33.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.575 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -57.29 -51.5 68.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -53.16 -54.47 35.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -40.89 -38.68 1.71 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.424 1.078 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.563 ' CE1' HG23 ' A' ' 69' ' ' ILE . 6.5 t-80 -50.09 134.39 22.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 109.56 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 69' ' ' ILE . 7.1 mt -57.8 -37.75 74.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.16 63.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.74 ' O ' HD12 ' A' ' 41' ' ' ILE . 69.0 mt-30 -47.41 -24.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -91.71 -38.63 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -50.26 139.74 14.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -86.31 -44.57 11.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 23.2 p -43.24 -38.44 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.242 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.27 -60.75 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.702 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 99.1 m-70 -51.7 -54.09 32.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.44 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.8 OUTLIER -45.45 -57.32 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.777 ' CD2' HD22 ' A' ' 59' ' ' LEU . 2.2 t80 -51.39 -37.02 46.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.693 ' O ' HG11 ' A' ' 49' ' ' VAL . 51.5 mt -83.6 -89.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.495 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 84.8 mt-30 -36.84 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.04 144.34 49.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.91 -74.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.86 124.34 24.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.625 HD12 ' NH2' ' A' ' 51' ' ' ARG . 9.9 mt -84.55 110.26 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -70.94 115.82 10.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -81.61 7.89 11.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.44 25.41 3.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -178.18 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.1 t -115.86 118.61 38.42 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.33 17.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -44.11 126.55 6.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -66.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -70.5 159.44 34.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 168.25 83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 84.95 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 90.8 p -98.95 104.85 16.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 85.6 p -56.13 101.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.97 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m 63.17 117.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.04 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.3 144.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.43 129.49 5.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -172.9 145.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.048 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -174.11 162.05 3.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.08 177.67 28.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -53.27 158.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' A' ' 39' ' ' LEU . 1.2 p-10 -61.6 148.33 42.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 8.6 p90 -156.69 124.02 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.682 HD21 ' HB1' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -124.43 115.54 21.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -137.57 157.9 45.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.491 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.5 mt -136.7 162.25 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.449 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 25.8 m-20 -142.65 146.83 34.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.525 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.0 mt -130.3 102.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -152.02 -173.81 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.451 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.8 m-20 67.52 62.62 0.75 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.99 104.84 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.557 ' C ' HG23 ' A' ' 29' ' ' THR . 0.7 OUTLIER -97.65 116.79 30.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.3 m -93.75 155.62 17.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.836 HG11 ' CE1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -111.33 166.32 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . -50.0 -177.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 24' ' ' GLY . 56.5 t 58.1 161.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -135.38 -167.81 11.43 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.83 -73.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.738 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -98.34 24.14 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -74.99 164.48 26.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.836 ' CE1' HG11 ' A' ' 21' ' ' VAL . 3.8 p90 -138.61 174.67 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.557 HG23 ' C ' ' A' ' 19' ' ' GLN . 16.6 m -140.89 159.03 43.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.467 HG23 ' CE2' ' A' ' 28' ' ' PHE . 5.5 p -118.57 127.76 53.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.525 ' HB3' HG23 ' A' ' 15' ' ' ILE . 67.0 m-85 -100.49 131.42 46.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -77.26 117.36 18.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.32 101.41 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 13' ' ' ILE . 23.3 ttm180 -100.14 107.46 19.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.64 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 2.6 ttp -108.05 143.5 36.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' N ' ' HG2' ' A' ' 35' ' ' MET . 11.8 mtp180 -137.53 139.14 40.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.55 HG21 ' CD1' ' A' ' 42' ' ' PHE . 3.4 t -167.16 169.7 12.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -129.36 9.78 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' A' ' 9' ' ' ASN . 18.9 mt -79.99 153.27 74.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.02 -37.84 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.755 HD12 ' O ' ' A' ' 118' ' ' GLN . 8.0 pt -38.3 -43.28 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 41' ' ' ILE . 80.0 m-85 -81.48 139.15 35.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -80.88 -52.35 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.44 HD12 ' HB3' ' A' ' 128' ' ' GLN . 11.6 mt -91.45 122.31 33.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -61.12 -37.3 82.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -159.92 144.6 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.96 168.94 25.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -134.05 97.83 3.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.286 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 127' ' ' LEU . 15.9 m -116.11 147.68 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -105.91 140.41 38.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -147.4 166.76 26.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -100.32 174.19 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.404 ' HD1' HD21 ' A' ' 104' ' ' LEU . 9.3 t80 -68.53 -26.5 65.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -41.47 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 126' ' ' PHE . 20.8 t0 -42.36 -45.94 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CD1' HD22 ' A' ' 104' ' ' LEU . 46.0 m-85 -59.31 -43.94 92.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.51 -35.63 63.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.472 ' CE2' ' OE1' ' A' ' 62' ' ' GLU . 35.5 t90 -73.58 -50.01 23.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -55.66 -50.08 71.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -50.83 -60.76 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLU . 47.9 t-20 -44.82 -58.57 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.472 ' OE1' ' CE2' ' A' ' 58' ' ' TRP . 1.1 mp0 -39.52 -33.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 111' ' ' ILE . 79.7 mt -85.36 -46.66 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' ASN . 3.0 mt-10 -59.52 -17.59 33.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.245 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.36 -67.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 167.17 101.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.4 t -165.77 30.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mttp 49.92 23.31 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.465 HG12 ' CB ' ' A' ' 116' ' ' LEU . 3.8 mt -91.37 134.95 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.2 t -101.42 100.73 10.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 3.7 t -92.29 137.22 24.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 165.8 30.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.86 41.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 23.1 mt -96.28 146.96 32.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -75.07 104.24 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.799 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.25 -83.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.26 118.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -136.58 150.95 48.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.8 105.48 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt 66.08 136.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.61 91.66 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -45.08 167.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 77.4 mt -59.88 154.0 50.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 58.0 4.74 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.463 1.77 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.63 167.13 11.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -63.16 103.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.88 60.01 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -148.86 125.84 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.74 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -59.72 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 95.51 112.2 2.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 10.2 mm -79.44 -63.48 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.6 t80 52.35 97.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -161.64 144.7 12.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -40.72 -60.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -47.52 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -56.13 20.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.9 mt -55.86 -43.1 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.373 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -60.64 3.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -50.14 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -71.59 -59.53 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.467 ' HG3' HG22 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -41.09 -61.28 1.02 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -59.79 -42.8 94.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.65 -50.09 50.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 56' ' ' PHE . 41.6 mt -61.25 -44.98 96.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 108' ' ' ILE . 0.4 OUTLIER -54.08 -51.65 63.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -51.41 68.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 7.2 t80 -49.78 -59.21 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.757 HD12 HG21 ' A' ' 111' ' ' ILE . 3.2 tp -62.49 -44.65 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.92 -36.67 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.95 -43.14 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.757 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -53.9 -45.92 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.682 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -55.91 -65.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.42 -36.27 0.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -46.16 131.89 7.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.591 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -39.85 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.486 1.782 . . . . 0.0 111.058 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.465 ' CB ' HG12 ' A' ' 69' ' ' ILE . 7.0 mt -62.74 -32.49 73.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.36 24.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.755 ' O ' HD12 ' A' ' 41' ' ' ILE . 39.6 mt-30 -54.36 -21.85 10.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -90.75 -33.16 15.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -60.61 135.45 57.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -28.46 23.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -45.9 90.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.469 ' HG ' HD12 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -54.84 -63.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.414 ' CE1' ' CE2' ' A' ' 42' ' ' PHE . 92.3 m-70 -39.18 -58.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.572 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.483 ' HG2' ' CG ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -46.34 -54.26 9.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.656 ' CD1' HD22 ' A' ' 59' ' ' LEU . 3.0 t80 -60.13 -31.8 70.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.469 HD12 ' HG ' ' A' ' 123' ' ' LEU . 47.6 mt -75.96 -51.79 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.48 ' O ' ' O ' ' A' ' 129' ' ' GLU . 60.8 mt-30 -116.6 -128.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.332 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.483 ' CG ' ' HG2' ' A' ' 125' ' ' MET . 0.0 OUTLIER 58.29 134.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -42.39 -52.64 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -154.69 135.24 13.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.643 HD11 ' HA ' ' A' ' 126' ' ' PHE . 15.3 mt -54.14 164.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.481 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 33.2 t0 -142.5 122.34 13.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.45 40.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -173.77 36.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 136' ' ' TYR . 0.1 OUTLIER -75.07 -175.03 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 55.0 t -129.1 116.77 18.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.55 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -160.73 123.18 1.19 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.94 142.57 3.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.6 t 74.59 166.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -58.29 -85.12 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -58.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.58 130.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.0 t -80.74 -58.39 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -168.88 154.09 6.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.74 164.99 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.51 152.92 10.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.36 168.93 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.92 160.33 21.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.0 -172.19 22.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.1 p -47.7 165.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HB3' HD21 ' A' ' 39' ' ' LEU . 57.7 m-20 -100.7 164.33 11.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.527 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.8 p90 -146.79 124.95 12.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.61 HD12 ' HB ' ' A' ' 37' ' ' THR . 6.6 tp -128.79 107.58 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -140.8 164.07 31.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.4 155.04 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -124.12 143.13 50.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 31' ' ' TYR . 2.8 mt -135.7 103.13 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 17' ' ' ASN . 43.8 p90 -151.99 -173.8 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.515 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 2.8 t-20 65.88 59.67 1.12 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.1 Cg_endo -75.07 101.48 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.542 1.812 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.58 140.12 39.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -90.69 150.19 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.714 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -122.31 166.62 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.38 -171.04 0.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 24' ' ' GLY . 42.6 t -95.38 161.95 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -49.42 172.26 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 83.62 104.57 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 52.36 32.05 10.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' NE ' ' HA2' ' A' ' 24' ' ' GLY . 6.2 ptp180 -78.29 175.42 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.714 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 3.9 p90 -143.81 174.43 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -137.3 166.3 24.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.394 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.458 ' N ' ' CG2' ' A' ' 29' ' ' THR . 7.0 p -122.27 -177.62 3.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.59 ' HB3' HG23 ' A' ' 15' ' ' ILE . 82.2 m-85 -150.78 139.9 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.02 96.28 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.3 t -80.89 91.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.84 128.45 54.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.589 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 4.9 tmm? -115.05 154.8 28.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -143.17 117.05 9.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.61 ' HB ' HD12 ' A' ' 11' ' ' LEU . 6.7 t -147.95 169.5 19.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -131.7 8.67 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 9' ' ' ASN . 20.7 mt -77.92 154.27 80.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.99 -37.99 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.773 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.5 pt -39.21 -44.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.773 ' CE1' HD11 ' A' ' 41' ' ' ILE . 80.6 m-85 -83.11 133.69 35.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -71.68 -66.5 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -77.48 150.93 34.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -90.49 -35.54 15.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CG ' ' HG3' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -147.38 130.78 16.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.79 164.22 38.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.613 ' O ' HG13 ' A' ' 49' ' ' VAL . 20.1 p -135.32 156.54 48.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 108.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.639 HG11 ' O ' ' A' ' 127' ' ' LEU . 18.3 m -158.29 154.32 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.53 131.76 55.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.82 ' NH1' HD12 ' A' ' 132' ' ' ILE . 0.0 OUTLIER -160.28 166.02 30.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 20.0 mtm105 -87.44 179.93 6.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.545 ' HD2' HD11 ' A' ' 104' ' ' LEU . 9.7 t80 -66.13 -47.45 74.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' GLU . 14.4 m -50.34 -21.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 56' ' ' PHE . 8.8 p-10 -48.02 -36.78 13.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.906 ' CD2' HD22 ' A' ' 104' ' ' LEU . 68.3 m-85 -76.57 -25.99 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' SER . 14.1 mt-10 -71.35 -24.26 62.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.432 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 41.3 t90 -90.65 -37.82 13.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.521 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.3 OUTLIER -64.54 -54.84 25.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -46.81 -63.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.401 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 4.5 t-20 -45.68 -48.7 14.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.1 mm-40 -45.85 -28.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.503 ' CD1' HD11 ' A' ' 111' ' ' ILE . 79.5 mt -84.61 -45.18 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.07 -16.42 31.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.05 -40.03 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.96 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 69' ' ' ILE . 0.3 OUTLIER -136.82 57.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER 40.46 32.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' SER . 6.6 mt -39.55 151.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.45 1.093 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' HB ' ' NE2' ' A' ' 114' ' ' HIS . 74.4 t -77.55 108.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 6.6 t -118.82 135.87 23.95 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.557 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -75.01 164.89 32.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.92 36.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' A' ' 56' ' ' PHE . 10.0 mt -86.55 147.35 43.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.0 1.19 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.99 126.79 3.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.2 -66.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.38 147.41 10.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.2 72.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.2 163.79 12.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 138.46 31.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -75.91 169.41 18.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD12 ' HD2' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -112.87 145.56 33.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.42 ' HD2' HD12 ' A' ' 83' ' ' LEU . 18.5 Cg_endo -74.96 177.91 7.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 56.09 107.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 50.03 96.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.48 56.08 0.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.77 146.85 41.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -168.41 -49.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.36 86.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 0.6 OUTLIER 40.32 78.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -132.32 -62.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.93 119.13 4.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -44.57 -36.38 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -61.15 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.05 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 91' ' ' ILE . 81.3 t80 -44.15 -45.86 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.7 mt -65.25 -61.5 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.93 -52.07 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -63.74 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -44.64 96.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -49.54 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -52.42 -39.97 61.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -54.81 -57.1 19.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.906 HD22 ' CD2' ' A' ' 56' ' ' PHE . 39.2 mt -58.24 -62.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.42 -45.09 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -62.52 -56.08 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.557 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.1 t80 -45.91 -56.51 5.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 111.035 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.648 HD12 HG21 ' A' ' 111' ' ' ILE . 3.7 tp -62.77 -44.16 99.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.14 -36.72 13.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -42.66 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.648 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -55.03 -43.93 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -53.59 -56.31 18.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.259 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.93 -43.47 2.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.414 ' NE2' ' HB ' ' A' ' 70' ' ' VAL . 7.2 t-80 -43.43 132.87 3.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 0.796 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -46.22 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.28 -35.69 65.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.06 -44.94 52.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.696 ' O ' HD12 ' A' ' 41' ' ' ILE . 58.5 mt-30 -52.94 -21.6 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -92.82 -35.04 13.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -64.9 121.17 14.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -29.62 68.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 14.6 p -50.81 -23.62 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.327 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.7 tp -79.23 -49.03 13.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.539 ' CE1' ' CD2' ' A' ' 42' ' ' PHE . 72.9 m-70 -63.4 -55.95 20.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.589 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.7 OUTLIER -52.87 -24.04 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.732 ' HA ' HD11 ' A' ' 132' ' ' ILE . 55.7 t80 -85.67 -8.9 57.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.639 ' O ' HG11 ' A' ' 49' ' ' VAL . 31.8 mt -107.36 -94.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.443 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 42.8 mt-30 -39.83 -66.16 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.32 115.45 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.419 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 3.0 pm0 -67.27 -47.37 70.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -101.98 126.14 48.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.82 HD12 ' NH1' ' A' ' 51' ' ' ARG . 21.5 mt -91.07 137.13 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 134' ' ' ARG . 32.1 t70 -103.57 79.59 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 133' ' ' ASP . 2.7 mtt180 -35.18 150.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 135' ' ' ASN . 16.8 t30 46.43 67.48 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -98.15 172.08 7.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 69.3 t -102.76 117.87 59.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.17 42.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -132.88 6.5 5.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.46 -66.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.76 112.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -74.33 -169.62 21.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.43 4.58 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.7 142.35 30.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 95.6 p -111.45 93.16 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -175.17 145.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p 178.59 156.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.36 -163.39 17.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.465 1.103 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 p -178.0 121.34 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.753 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.85 157.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.46 129.82 1.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.1 m -113.41 167.5 10.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.522 ' HB3' HD21 ' A' ' 39' ' ' LEU . 3.8 m-20 -82.46 151.22 26.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 9.2 p90 -156.63 128.36 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.817 ' CD2' ' HB1' ' A' ' 112' ' ' ALA . 3.4 tp -125.2 105.55 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.01 158.5 44.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.286 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.711 HD13 ' CG1' ' A' ' 108' ' ' ILE . 3.2 mt -127.24 153.3 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -119.09 147.75 43.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.434 HG13 ' CA ' ' A' ' 105' ' ' GLU . 5.9 mm -133.56 98.57 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -152.65 -174.14 4.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.998 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.513 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.7 t30 64.94 59.28 1.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.02 113.01 3.69 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.49 141.45 47.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.555 HG21 ' HD3' ' A' ' 27' ' ' ARG . 49.9 m -91.46 147.85 22.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.886 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 2.9 t -116.75 166.13 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.39 144.07 15.75 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.57 HG22 ' N ' ' A' ' 24' ' ' GLY . 5.2 p -163.98 169.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.57 ' N ' HG22 ' A' ' 23' ' ' VAL . . . -32.5 -83.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.22 94.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 27' ' ' ARG . . . -179.06 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HD3' HG21 ' A' ' 20' ' ' THR . 7.2 ttm-85 56.84 154.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.948 ' CE1' HG22 ' A' ' 30' ' ' THR . 1.2 p90 -162.51 165.12 26.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.22 143.02 45.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.948 HG22 ' CE1' ' A' ' 28' ' ' PHE . 53.6 p -99.61 -178.16 3.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.469 ' CE1' ' HG3' ' A' ' 101' ' ' ARG . 61.1 m-85 -150.95 133.31 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.11 105.58 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 t -83.58 91.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -98.6 102.49 14.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 2.9 tmm? -97.91 154.74 17.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' SD ' ' A' ' 35' ' ' MET . 20.2 mtp180 -149.56 115.58 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.512 ' HB ' HD12 ' A' ' 11' ' ' LEU . 9.1 t -136.17 172.62 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -134.36 16.99 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 9' ' ' ASN . 35.4 mt -91.68 154.66 44.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.2 Cg_endo -74.94 -37.59 2.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.766 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.2 pt -37.77 -44.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.766 ' CE1' HD11 ' A' ' 41' ' ' ILE . 81.4 m-85 -82.61 138.26 34.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -75.04 -51.34 13.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' A' ' 128' ' ' GLN . 11.2 mt -92.29 139.17 30.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -72.78 -31.16 64.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.91 142.1 4.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.5 m -156.2 165.91 35.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.83 141.33 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.0 m -145.45 165.74 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.82 109.66 15.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.27 151.24 49.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG2' ' CE1' ' A' ' 28' ' ' PHE . 74.2 mtm180 -79.7 158.48 26.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -47.93 -44.14 29.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.8 m -47.48 -26.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.6 ' OD1' ' CD2' ' A' ' 56' ' ' PHE . 3.8 p-10 -55.93 -35.99 67.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.909 ' CE2' HD13 ' A' ' 104' ' ' LEU . 52.2 m-85 -73.28 -49.21 28.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -50.19 -25.54 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.546 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 70.4 t90 -84.99 -54.83 4.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 108.04 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.694 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -51.19 -47.06 62.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.666 ' HD3' HD12 ' A' ' 74' ' ' LEU . 4.8 tttm -60.11 -64.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -47.8 -37.74 14.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.546 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 3.6 mm-40 -51.41 -24.46 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.507 ' HB2' HG21 ' A' ' 71' ' ' VAL . 10.5 mt -98.71 -32.37 11.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.95 -39.79 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.415 ' HG2' ' C ' ' A' ' 62' ' ' GLU . 5.1 ptm180 -41.21 -32.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 67' ' ' SER . 2.6 t70 170.31 116.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER 159.74 122.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -17.29 8.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.508 HG23 ' CE1' ' A' ' 114' ' ' HIS . 7.5 mt -45.04 141.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.1 t -98.24 101.77 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 63' ' ' LEU . 8.9 t -86.97 137.29 33.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.04 166.57 28.87 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 147.02 33.67 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.666 HD12 ' HD3' ' A' ' 60' ' ' LYS . 14.2 mt -94.68 151.48 39.16 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 112.92 3.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.42 124.17 3.7 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -66.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.77 173.53 15.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.05 64.73 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.09 126.63 29.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.77 131.15 17.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.51 -58.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.01 156.86 74.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 73.39 4.32 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.88 109.89 21.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.84 92.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.69 95.35 0.12 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.431 1.082 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' GLU . 13.6 m-20 51.09 89.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -38.64 -55.59 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 91' ' ' ILE . . . 157.24 118.44 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' GLY . 6.6 mt 39.44 87.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -153.48 -49.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.0 151.66 14.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.23 -49.07 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.6 p -59.43 -59.39 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -41.13 -57.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 9.2 mt -53.2 -52.37 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -49.76 -50.19 45.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -59.34 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -60.18 -46.27 90.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.469 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 2.4 ttp180 -42.78 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -53.36 -49.39 67.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.0 -66.69 0.65 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.421 1.075 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.909 HD13 ' CE2' ' A' ' 56' ' ' PHE . 80.9 mt -50.7 -61.65 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.434 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.7 tt0 -38.33 -48.21 1.3 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -56.81 13.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.5 t80 -44.8 -58.99 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.865 HD12 HG21 ' A' ' 111' ' ' ILE . 7.0 tp -60.73 -43.55 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -41.95 23.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.2 -42.95 16.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.865 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -54.81 -36.91 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.817 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -63.96 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.97 -31.26 0.09 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.508 ' CE1' HG23 ' A' ' 69' ' ' ILE . 4.0 t-80 -58.27 128.15 81.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.611 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.4 mt -61.03 -38.87 87.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.05 -44.64 60.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.682 ' O ' HD12 ' A' ' 41' ' ' ILE . 50.4 mt-30 -49.21 -25.23 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -90.52 -40.28 12.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -45.51 142.78 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.19 -24.77 25.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 27.2 p -61.89 -42.53 99.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 tp -64.53 -53.61 45.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 127' ' ' LEU . 32.6 m-70 -44.86 -55.05 5.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.547 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.544 ' SD ' HG23 ' A' ' 132' ' ' ILE . 1.1 ttm -54.85 -56.46 19.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.694 ' CD2' HD22 ' A' ' 59' ' ' LEU . 46.6 t80 -36.57 -32.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' MET . 3.8 mt -112.78 157.49 21.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.569 ' HB3' HD12 ' A' ' 44' ' ' LEU . 30.2 mt-30 75.27 -55.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.46 130.74 40.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -72.27 -67.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -94.95 127.55 41.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.544 HG23 ' SD ' ' A' ' 125' ' ' MET . 59.2 mt -82.28 133.34 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -93.36 80.29 4.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -40.44 144.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 32.8 t30 57.56 59.08 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -88.87 176.19 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.33 125.81 26.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 84.11 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -170.99 115.58 0.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.34 -63.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.2 t -99.59 -58.49 1.92 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.44 -170.05 15.12 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.71 89.27 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.96 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.95 94.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.567 1.167 . . . . 0.0 110.945 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.45 98.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.946 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.52 164.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.26 124.1 2.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -169.26 130.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 p -177.26 166.67 2.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.3 150.31 5.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.7 p 49.27 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.533 ' HB3' HD21 ' A' ' 39' ' ' LEU . 5.3 m120 -60.15 155.05 18.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.0 p90 -158.03 133.61 8.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD12 ' HB ' ' A' ' 37' ' ' THR . 6.0 tp -129.34 102.77 6.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -130.61 164.17 25.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 35' ' ' MET . 3.4 mt -135.58 156.6 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.79 141.7 50.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.524 HG23 ' CB ' ' A' ' 31' ' ' TYR . 2.1 mm -129.45 98.98 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -153.32 -174.34 4.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 4.3 t-20 68.24 62.32 0.68 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.03 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.25 119.49 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 28' ' ' PHE . 69.3 m -85.51 152.22 23.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.72 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -122.53 166.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.37 169.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.4 t -134.97 142.39 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.01 -174.68 31.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.73 167.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 52.46 69.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.408 ' O ' HD12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -115.22 150.84 35.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.72 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 6.5 p90 -143.77 172.84 12.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.8 m -143.03 167.3 22.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.5 p -137.92 156.43 47.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.524 ' CB ' HG23 ' A' ' 15' ' ' ILE . 58.1 m-85 -120.03 143.45 48.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.82 96.56 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.603 HG21 ' HB2' ' A' ' 51' ' ' ARG . 6.8 t -77.57 91.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -95.57 99.41 11.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.567 ' SD ' HD13 ' A' ' 127' ' ' LEU . 9.7 ttp -93.83 143.84 25.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.417 ' N ' ' HG2' ' A' ' 35' ' ' MET . 29.8 ptt180 -140.79 145.19 36.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.627 HG21 ' CD1' ' A' ' 42' ' ' PHE . 5.5 t -172.97 162.81 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.406 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -120.72 14.77 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 9' ' ' ASN . 33.2 mt -82.69 154.08 68.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.5 Cg_endo -74.97 -37.13 2.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.784 HD11 ' CE1' ' A' ' 42' ' ' PHE . 8.1 pt -37.76 -44.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.784 ' CE1' HD11 ' A' ' 41' ' ' ILE . 83.4 m-85 -84.67 151.16 24.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -94.97 -42.57 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -97.18 141.74 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -88.33 -35.97 16.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.79 126.37 15.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.227 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.12 163.1 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.408 ' C ' HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -135.4 145.36 47.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 108.359 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.408 HG13 ' C ' ' A' ' 48' ' ' CYS . 28.6 m -152.72 163.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -87.62 127.91 35.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.603 ' HB2' HG21 ' A' ' 33' ' ' VAL . 12.0 mmp_? -139.74 127.17 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -109.48 164.1 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 75' ' ' PRO . 50.3 t80 -50.04 -38.26 37.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -48.07 71.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.24 -55.22 13.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.736 ' CD2' HD22 ' A' ' 104' ' ' LEU . 34.3 m-85 -47.7 -51.15 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.02 -54.67 6.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.447 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 48.6 t90 -50.67 -49.06 58.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 108.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.564 HD22 ' CD2' ' A' ' 126' ' ' PHE . 0.1 OUTLIER -56.88 -49.81 74.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -58.02 -62.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.47 -51.58 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 30.6 mm-40 -40.45 -41.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.532 ' CD1' HD11 ' A' ' 111' ' ' ILE . 64.9 mt -68.77 -59.55 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -47.99 -30.75 4.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -46.85 75.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -156.9 101.93 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 0.1 OUTLIER 179.4 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.999 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 67' ' ' SER . 0.2 OUTLIER 76.8 -46.47 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LYS . 3.3 mt -36.86 152.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.6 t -90.11 103.81 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 63' ' ' LEU . 13.0 t -82.62 140.49 44.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.575 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -74.97 163.49 35.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.443 1.759 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.8 42.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.3 mt -100.86 151.24 37.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.592 ' O ' ' CE1' ' A' ' 53' ' ' TYR . 18.2 Cg_endo -75.04 112.82 3.65 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.456 1.766 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 77' ' ' LYS . . . 161.98 -86.88 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER 88.01 160.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.28 172.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 tp -178.76 154.5 0.74 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -37.91 68.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 47.08 74.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -75.5 137.39 40.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.0 mt -56.37 155.43 13.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.92 2.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.07 -43.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.3 -50.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -118.0 139.29 14.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -150.63 161.51 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.25 -58.1 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.64 123.09 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.616 HG23 ' HE2' ' A' ' 96' ' ' PHE . 6.7 mt -84.78 78.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 0.722 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -131.0 -51.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -39.01 130.78 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -61.57 -52.14 65.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.29 -51.77 18.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.616 ' HE2' HG23 ' A' ' 91' ' ' ILE . 81.8 t80 -51.41 -44.7 62.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.6 mt -60.58 -52.14 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.14 -58.76 6.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -62.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.42 -47.85 84.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -50.22 -60.2 3.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -64.81 -47.61 77.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -43.99 -62.88 2.49 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.736 HD22 ' CD2' ' A' ' 56' ' ' PHE . 26.2 mt -52.59 -55.95 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 1.6 tt0 -49.17 -49.1 44.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -43.29 96.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 8.9 t80 -62.42 -60.21 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.461 HD12 HG21 ' A' ' 111' ' ' ILE . 5.7 tp -58.98 -28.26 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 105' ' ' GLU . 0.7 OUTLIER -60.22 -61.07 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -37.82 88.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.532 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -61.55 -53.91 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.513 ' N ' HG22 ' A' ' 111' ' ' ILE . . . -52.42 -63.09 1.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ALA . . . -37.63 -34.85 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -53.11 126.28 43.69 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.567 0.804 . . . . 0.0 109.62 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.3 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 116' ' ' LEU . 4.3 mt -62.31 -38.04 87.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -72.47 -43.13 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.61 ' O ' HD12 ' A' ' 41' ' ' ILE . 52.6 mt-30 -46.73 -24.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -89.43 -37.02 15.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 117' ' ' ALA . 45.0 mm-40 -48.58 133.96 16.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -78.9 -45.4 20.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.8 p -44.13 -45.82 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.272 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' HIS . 1.9 tp -64.13 -60.93 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' LEU . 5.4 m-70 -39.25 -48.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.434 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.4 OUTLIER -58.51 -54.34 48.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.767 ' HA ' HD11 ' A' ' 132' ' ' ILE . 58.0 t80 -37.92 -32.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.567 HD13 ' SD ' ' A' ' 35' ' ' MET . 2.6 mt -109.06 160.22 16.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 127' ' ' LEU . 74.0 mt-30 72.57 -56.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.77 107.15 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -49.67 51.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -111.92 126.78 55.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.767 HD11 ' HA ' ' A' ' 126' ' ' PHE . 41.6 mt -79.44 112.16 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 135' ' ' ASN . 58.6 m-20 -75.21 96.25 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -67.39 70.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.0 OUTLIER 176.06 40.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -94.69 173.41 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 65.5 t -119.38 119.3 31.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -123.47 124.91 5.73 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 107.28 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.1 p -99.9 83.1 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.051 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 164.76 150.2 6.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 144' ' ' SER . 18.3 Cg_endo -74.98 71.85 4.84 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 143' ' ' PRO . 9.1 t 54.34 104.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.38 85.88 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -146.62 121.27 9.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m 58.58 158.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.41 63.94 0.18 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.87 127.92 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -126.24 141.76 51.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.38 -153.34 10.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.1 m -71.13 165.73 22.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 109.958 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.635 ' HB2' HD21 ' A' ' 39' ' ' LEU . 2.5 p-10 -109.34 158.55 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 8.4 p90 -157.98 122.93 4.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.784 HD21 ' HB1' ' A' ' 112' ' ' ALA . 3.3 tp -118.99 110.11 16.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -137.11 159.91 40.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.99 140.68 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.16 140.23 48.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG22 ' HG3' ' A' ' 101' ' ' ARG . 2.2 mt -128.16 102.77 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -147.39 -174.49 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.44 65.58 0.9 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 140.12 25.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.92 122.66 9.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.418 ' HG1' ' HG1' ' A' ' 29' ' ' THR . 49.0 m -79.72 141.43 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.656 HG13 ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.19 164.75 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.259 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.519 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 68.45 153.69 0.54 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.1 t -137.85 139.91 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.243 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.25 -90.26 0.09 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.88 -54.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.13 43.78 1.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -45.55 170.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.656 ' CZ ' HG13 ' A' ' 21' ' ' VAL . 3.2 p90 -131.9 173.87 10.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.418 ' HG1' ' HG1' ' A' ' 20' ' ' THR . 1.8 m -132.14 160.94 34.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.635 HG22 ' HE2' ' A' ' 28' ' ' PHE . 76.2 p -115.95 169.25 9.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -148.3 139.3 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' OE1' ' CA ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -78.11 118.16 20.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.5 t -97.15 102.15 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -107.83 105.34 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 3.0 tmm? -101.95 154.13 19.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' N ' ' SD ' ' A' ' 35' ' ' MET . 1.1 mtm180 -151.85 110.48 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.724 ' HB ' HD12 ' A' ' 11' ' ' LEU . 12.2 t -132.74 166.36 22.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -125.25 20.64 8.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.8 mt -92.43 153.6 42.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.98 -37.92 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.785 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.2 pt -38.35 -44.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.785 ' CE1' HD11 ' A' ' 41' ' ' ILE . 84.7 m-85 -82.87 129.17 34.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -67.14 -54.57 20.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mt -88.77 150.12 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -89.56 -40.58 12.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -145.65 141.03 27.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.4 t -156.88 166.97 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t -133.94 124.61 26.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 108.291 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.1 m -145.16 167.32 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -111.42 130.01 55.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.148 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.404 ' NH1' ' O ' ' A' ' 130' ' ' GLU . 33.4 mmt180 -135.51 128.07 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 28' ' ' PHE . 7.3 mtm180 -83.63 165.79 18.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.457 ' CD1' ' HD2' ' A' ' 100' ' ' ARG . 47.1 t80 -58.91 -24.09 61.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.9 m -74.7 -51.5 14.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -43.19 -44.86 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.654 ' CD2' HD22 ' A' ' 104' ' ' LEU . 20.8 m-85 -58.26 -45.09 88.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.38 -49.04 73.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.561 ' CH2' ' HG3' ' A' ' 62' ' ' GLU . 16.5 t90 -63.91 -34.54 78.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.524 HD22 ' CG ' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -65.93 -50.8 63.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.617 ' HA ' HD12 ' A' ' 63' ' ' LEU . 13.2 tttm -58.84 -61.97 2.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.46 -34.81 5.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.561 ' HG3' ' CH2' ' A' ' 58' ' ' TRP . 2.6 mm-40 -60.37 -37.3 80.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.884 HD13 HD11 ' A' ' 111' ' ' ILE . 0.6 OUTLIER -84.39 -8.04 59.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.37 50.63 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.88 -67.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 166.19 82.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 m -150.67 20.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.7 mttt 59.88 15.56 5.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.656 HG12 HD12 ' A' ' 116' ' ' LEU . 3.9 mt -70.3 137.15 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.65 105.08 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 72' ' ' PRO . 4.1 t -98.86 140.25 21.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.1 Cg_endo -75.05 160.87 39.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.4 35.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.546 1.813 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 18.8 mt -93.78 143.27 26.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.441 ' O ' ' CE1' ' A' ' 53' ' ' TYR . 18.3 Cg_endo -74.96 109.99 3.03 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 77' ' ' LYS . . . 172.12 -141.58 6.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER 84.48 81.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -133.0 129.19 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.52 66.43 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.9 mttp 55.6 83.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -93.05 -67.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -165.76 99.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.05 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -51.97 155.49 3.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.724 ' O ' HD22 ' A' ' 83' ' ' LEU . 18.4 Cg_endo -74.96 -159.81 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -160.5 101.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.48 -61.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -168.31 -96.52 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 93.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -81.5 72.07 8.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.46 -152.54 5.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.174 HD12 ' CE2' ' A' ' 96' ' ' PHE . 26.9 mm -87.2 82.76 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -139.46 85.57 2.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -156.6 140.5 16.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -64.45 -59.88 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.4 OUTLIER -47.59 -61.42 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 1.174 ' CE2' HD12 ' A' ' 91' ' ' ILE . 30.8 t80 -43.6 -52.41 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.7 mt -56.1 -35.3 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 95' ' ' SER . 17.3 tt0 -74.34 -57.17 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.33 -48.24 9.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.457 ' HD2' ' CD1' ' A' ' 53' ' ' TYR . 7.2 tpp180 -65.84 -50.72 63.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.46 ' HG3' HG22 ' A' ' 15' ' ' ILE . 4.6 ttt180 -51.73 -68.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -54.59 -38.96 67.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.44 -62.3 5.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.654 HD22 ' CD2' ' A' ' 56' ' ' PHE . 55.2 mt -51.81 -48.15 63.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 108' ' ' ILE . 0.7 OUTLIER -51.54 -55.47 18.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -55.43 -47.87 75.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 6.3 t80 -54.07 -59.01 5.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.759 HD12 HG21 ' A' ' 111' ' ' ILE . 4.6 tp -61.16 -42.15 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -39.77 41.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -40.72 15.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.884 HD11 HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -56.59 -48.04 81.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.784 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -58.47 -47.28 84.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -48.27 -35.47 14.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -55.35 135.85 69.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.447 1.761 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.656 HD12 HG12 ' A' ' 69' ' ' ILE . 7.4 mt -56.7 -37.14 70.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.03 -44.68 68.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.662 ' O ' HD12 ' A' ' 41' ' ' ILE . 63.1 mt-30 -52.74 -24.21 8.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -92.28 -31.78 15.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.436 ' HG3' HD23 ' A' ' 63' ' ' LEU . 49.7 mm-40 -54.32 140.21 34.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.2 -48.97 9.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 24.9 p -44.11 -33.61 1.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 108.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.7 tp -69.71 -52.08 28.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -55.96 -28.97 59.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.587 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.457 ' CE ' ' CD2' ' A' ' 136' ' ' TYR . 0.0 OUTLIER -72.76 -31.05 64.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.524 ' CG ' HD22 ' A' ' 59' ' ' LEU . 43.7 t80 -70.1 -20.06 63.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.0 mt -116.0 150.99 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 77.09 -54.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.251 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -79.09 153.64 30.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.404 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 19.3 tp10 -93.02 -61.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.56 129.21 45.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.421 ' HA ' ' SD ' ' A' ' 125' ' ' MET . 16.7 mt -84.13 114.96 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -72.03 79.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -38.24 157.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 135' ' ' ASN . 18.7 t30 42.43 67.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.457 ' CD2' ' CE ' ' A' ' 125' ' ' MET . 44.2 p90 -96.09 -178.78 4.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.04 114.48 63.64 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -164.52 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.18 -138.69 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 119.95 9.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -175.69 170.15 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -74.01 156.61 50.56 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 41.3 t -137.24 141.41 42.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.3 t -147.3 114.44 6.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 m 62.44 154.85 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.054 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.25 151.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.83 126.35 0.86 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -136.97 103.45 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.1 162.7 40.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.57 85.51 0.15 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 t -179.47 119.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.993 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.486 ' HB2' HD21 ' A' ' 39' ' ' LEU . 12.2 p30 -83.5 146.17 28.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 6.8 p90 -157.26 122.42 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.0 tp -120.73 104.62 10.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -132.19 157.88 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.482 HD13 HG12 ' A' ' 108' ' ' ILE . 4.3 mt -129.13 152.23 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.7 139.48 53.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.5 HG22 ' HG3' ' A' ' 101' ' ' ARG . 2.6 mt -130.87 102.49 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -151.29 -174.9 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 1.0 OUTLIER 66.42 64.46 0.83 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -75.04 145.65 31.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.26 117.71 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 27' ' ' ARG . 4.5 m -78.11 137.16 38.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.617 HG13 ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -141.49 164.54 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.12 153.16 20.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.097 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.5 t -140.02 139.88 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.55 -89.39 0.48 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.73 172.51 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.341 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 43.04 69.94 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.47 ' HD2' ' CG2' ' A' ' 20' ' ' THR . 0.0 OUTLIER -76.48 166.8 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.617 ' CZ ' HG13 ' A' ' 21' ' ' VAL . 3.3 p90 -150.78 174.41 13.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 111.059 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 t -139.55 166.6 24.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.436 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.9 p -121.4 -177.75 3.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -150.78 151.12 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.99 99.07 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.8 t -78.03 97.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -105.04 107.94 19.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 36' ' ' ARG . 4.6 tmm? -104.53 155.23 19.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' N ' ' SD ' ' A' ' 35' ' ' MET . 2.9 mtp180 -147.79 107.03 3.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.52 ' HB ' HD12 ' A' ' 11' ' ' LEU . 13.8 t -128.65 170.6 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -133.32 13.98 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 9' ' ' ASN . 32.6 mt -86.01 155.98 57.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.0 Cg_endo -75.01 -38.26 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.785 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.6 pt -38.43 -44.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.785 ' CE1' HD11 ' A' ' 41' ' ' ILE . 81.4 m-85 -83.34 129.85 35.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -68.99 -52.95 23.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.81 149.2 23.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -86.13 -32.42 21.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -159.35 143.95 15.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 t -156.66 168.32 27.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.6 p -134.41 129.43 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.41 176.76 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 144.37 41.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 126' ' ' PHE . 14.6 tpp180 -156.65 128.62 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -85.54 178.54 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -73.74 -25.53 60.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -41.04 61.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' CB ' ' HG3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -48.84 -49.25 40.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.797 ' CD2' HD22 ' A' ' 104' ' ' LEU . 25.2 m-85 -54.31 -45.91 72.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG2' ' CD1' ' A' ' 74' ' ' LEU . 1.3 mt-10 -52.78 -36.12 57.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.405 ' CZ3' ' SG ' ' A' ' 122' ' ' CYS . 14.4 t90 -71.3 -45.52 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.033 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.11 -46.05 90.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 63' ' ' LEU . 19.5 tttm -64.17 -64.56 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -48.62 -30.33 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -63.49 -35.15 79.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 111' ' ' ILE . 39.8 mt -71.9 -45.26 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -66.72 -32.01 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.55 -66.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.05 95.51 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.34 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm 68.22 15.11 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 mt -64.01 156.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -86.06 102.61 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 4.0 t -104.25 137.25 19.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.576 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.3 Cg_endo -74.99 164.58 33.08 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 151.5 39.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.443 ' CD1' ' HG2' ' A' ' 57' ' ' GLU . 28.0 mt -94.36 148.53 35.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 81.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.06 146.98 5.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -142.11 -58.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.79 164.19 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tt -169.49 -65.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -109.51 89.57 3.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -155.85 165.06 37.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 60.63 92.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.4 mp -46.87 168.38 0.13 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.8 20.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.6 129.25 14.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 40.49 88.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.251 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.16 106.15 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.52 134.89 54.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -147.29 119.41 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.5 -133.9 4.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.706 ' O ' HD12 ' A' ' 91' ' ' ILE . 2.5 pp -139.27 108.22 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 14.4 p90 -162.64 98.65 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -142.46 154.28 44.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.33 -56.64 6.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.9 t -42.92 -59.18 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.687 ' CE2' HD13 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -48.94 -52.28 25.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.7 mt -49.67 -48.22 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.84 -54.2 45.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -57.05 9.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.05 -52.62 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.5 ' HG3' HG22 ' A' ' 15' ' ' ILE . 1.1 ttp-105 -49.86 -68.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -54.9 -45.96 74.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.59 -69.39 0.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.797 HD22 ' CD2' ' A' ' 56' ' ' PHE . 42.5 mt -40.83 -55.29 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 109.272 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.93 -44.59 9.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -55.89 20.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.3 t80 -44.42 -54.54 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.594 HD12 ' CG2' ' A' ' 111' ' ' ILE . 5.1 tp -66.57 -50.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.453 ' N ' HG23 ' A' ' 108' ' ' ILE . 0.7 OUTLIER -39.42 -35.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.91 -59.91 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.594 ' CG2' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -42.03 -31.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.523 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -63.28 -56.98 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.97 -36.48 2.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.562 1.163 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 116' ' ' LEU . 6.1 t-80 -52.89 126.56 42.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.549 0.794 . . . . 0.0 109.612 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.56 2.45 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.6 mt -64.46 -26.79 68.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.73 -40.34 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.501 ' O ' HD12 ' A' ' 41' ' ' ILE . 66.8 mt-30 -52.36 -25.17 9.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -89.74 -41.57 11.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.431 ' HG3' ' CD2' ' A' ' 63' ' ' LEU . 44.4 mm-40 -39.62 135.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.418 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 2.0 tpt180 -78.26 -22.04 48.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.405 ' SG ' ' CZ3' ' A' ' 58' ' ' TRP . 40.8 t -64.11 -56.89 11.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 tp -52.3 -57.02 11.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 127' ' ' LEU . 22.1 m-70 -43.61 -56.26 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 132' ' ' ILE . 0.4 OUTLIER -57.64 -53.27 60.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.796 ' HA ' HD11 ' A' ' 132' ' ' ILE . 36.8 t80 -37.86 -44.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 124' ' ' HIS . 1.4 mt -103.58 165.38 11.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 77.03 -54.76 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.05 150.31 27.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -85.18 -59.57 2.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -99.91 125.55 45.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.796 HD11 ' HA ' ' A' ' 126' ' ' PHE . 29.3 mt -81.98 114.24 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 134' ' ' ARG . 1.8 m-20 -72.57 74.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 133' ' ' ASP . 14.0 mtp180 -38.31 150.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 30.2 t30 60.77 57.22 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' A' ' 136' ' ' TYR . 5.1 p90 -94.05 169.18 10.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 58.6 t -112.65 124.66 31.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 64.3 6.01 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -155.74 -170.46 21.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt 65.51 139.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.5 t 59.94 168.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 141.84 82.05 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.81 4.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 27.5 p -106.06 -58.0 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.2 t -41.61 138.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.034 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.14 91.22 2.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.57 152.73 25.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.94 71.59 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.092 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -102.6 129.05 49.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.78 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -158.28 139.8 13.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.69 110.51 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.6 m 53.43 102.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.476 ' HB2' HD21 ' A' ' 39' ' ' LEU . 2.9 p-10 -105.08 154.74 19.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 9.6 p90 -156.86 122.69 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.779 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.1 tp -120.33 106.1 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -132.04 160.81 34.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mt -134.8 139.62 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.01 141.21 47.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.426 HG23 ' HB2' ' A' ' 31' ' ' TYR . 1.7 mt -132.07 104.87 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 101' ' ' ARG . 44.1 p90 -151.0 -174.83 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 58.17 71.97 0.95 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.51 28.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.8 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -145.3 118.63 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.5 m -92.51 131.68 37.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.659 HG13 ' CZ ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -141.2 163.79 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 21' ' ' VAL . . . 138.35 148.24 5.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.1 t -139.15 140.12 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.31 -67.04 0.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.48 173.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 39.68 70.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.37 177.17 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.659 ' CZ ' HG13 ' A' ' 21' ' ' VAL . 2.7 p90 -139.23 171.76 13.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.0 m -140.98 146.52 37.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 52' ' ' ARG . 2.6 p -141.38 131.14 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.399 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.426 ' HB2' HG23 ' A' ' 15' ' ' ILE . 17.2 m-85 -97.38 156.6 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.55 96.67 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.7 t -78.78 108.21 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -110.53 102.17 10.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.413 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.0 tmm? -99.82 153.49 19.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -151.32 111.23 4.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.609 ' HB ' HD12 ' A' ' 11' ' ' LEU . 11.5 t -130.99 170.1 14.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -131.46 19.06 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 9' ' ' ASN . 19.2 mt -93.43 154.72 41.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.3 Cg_endo -75.03 -38.21 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.747 HD11 ' CE1' ' A' ' 42' ' ' PHE . 9.1 pt -38.08 -44.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' A' ' 41' ' ' ILE . 81.0 m-85 -81.86 131.19 35.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -66.01 -55.14 18.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.072 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.6 mt -91.73 143.52 26.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -79.59 -29.8 41.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -165.89 144.26 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.4 170.64 21.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.6 p -125.24 117.67 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.265 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.4 m -136.93 173.04 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 6.4 ptt180 -125.71 123.29 38.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 51' ' ' ARG . 12.7 mmp_? -123.58 152.83 41.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' HB3' HG22 ' A' ' 30' ' ' THR . 19.0 ptt180 -120.71 150.02 41.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -39.61 -43.58 1.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.5 -45.57 69.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ARG . 83.1 m-20 -55.1 -56.44 19.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.736 ' HB3' HD21 ' A' ' 74' ' ' LEU . 65.0 m-85 -47.1 -41.9 18.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -61.01 -48.15 83.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.605 ' CZ2' ' OE1' ' A' ' 62' ' ' GLU . 6.7 t90 -63.23 -42.61 99.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 126' ' ' PHE . 0.2 OUTLIER -62.3 -52.32 64.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' LEU . 15.0 tttm -56.9 -69.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -45.59 -34.78 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.605 ' OE1' ' CZ2' ' A' ' 58' ' ' TRP . 0.7 OUTLIER -69.61 -39.28 77.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.529 ' CD1' HD11 ' A' ' 111' ' ' ILE . 3.1 mt -60.11 -43.22 95.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.12 45.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -94.02 -67.89 0.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -130.73 71.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.9 p 168.82 134.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.09 46.11 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mt -70.49 152.78 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.363 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.7 t -95.59 100.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 10.6 t -100.64 137.17 19.8 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.2 Cg_endo -75.07 159.11 41.49 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.34 40.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.736 HD21 ' HB3' ' A' ' 56' ' ' PHE . 12.5 mt -94.35 150.2 37.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 93.91 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.18 77.43 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.3 101.35 6.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.74 166.85 11.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 mp -100.93 114.94 29.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 155.93 32.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 58.61 163.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.6 100.8 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.06 158.37 72.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.13 18.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 58.85 93.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 66.29 96.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.81 -119.11 2.44 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 t70 59.64 92.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -85.74 70.38 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.25 98.51 2.42 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.507 1.13 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.893 HG23 ' CE2' ' A' ' 96' ' ' PHE . 78.1 mt -97.19 53.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 11.7 p90 -160.63 94.31 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 6.5 mt-10 -162.79 145.19 10.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.81 -40.09 13.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.9 -58.73 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.893 ' CE2' HG23 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -45.17 -57.51 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 13.3 mt -47.91 -57.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.21 -49.09 70.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -57.23 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -53.67 -55.32 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.255 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 16' ' ' PHE . 20.2 ttp180 -46.96 -66.61 0.38 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.15 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -41.08 -60.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.24 -63.23 1.87 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.586 HD22 ' CD2' ' A' ' 56' ' ' PHE . 45.8 mt -44.03 -59.43 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.97 -46.6 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -55.18 23.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 5.3 t80 -43.91 -58.8 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.698 HD12 HG21 ' A' ' 111' ' ' ILE . 4.4 tp -61.27 -49.53 84.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.434 ' N ' HG23 ' A' ' 108' ' ' ILE . 1.2 m-80 -44.35 -37.85 3.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.59 -40.82 13.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.698 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -55.89 -48.45 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.779 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -56.74 -57.84 10.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.78 -33.0 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -58.06 131.89 83.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 116' ' ' LEU . 5.0 mt -56.76 -36.59 69.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.417 ' HB1' HD22 ' A' ' 123' ' ' LEU . . . -73.39 -48.48 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.671 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.1 mt-30 -47.02 -25.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.52 -43.77 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.05 138.35 15.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 -41.32 17.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 27.3 p -44.92 -41.05 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.31 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.417 HD22 ' HB1' ' A' ' 117' ' ' ALA . 9.7 tp -60.98 -58.65 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -39.89 -61.41 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 127' ' ' LEU . 1.9 ttm -37.71 -57.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.553 ' CD1' HD22 ' A' ' 59' ' ' LEU . 15.8 t80 -36.9 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 125' ' ' MET . 2.6 mt -112.92 155.59 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 77.76 -54.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.13 115.29 9.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -51.02 39.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -114.3 164.76 13.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 20.9 mm -91.83 103.74 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 134' ' ' ARG . 28.5 t0 -82.88 76.63 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 7.4 mtm-85 -37.89 128.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' A' ' 136' ' ' TYR . 17.2 t-20 84.84 -48.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 135' ' ' ASN . 47.9 p90 37.87 -159.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.413 ' N ' ' CD2' ' A' ' 136' ' ' TYR . 62.2 t -125.21 114.98 25.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 98.85 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 146.8 111.84 0.7 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.91 137.06 42.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.2 m -130.98 138.66 49.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.25 78.03 0.04 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.415 1.072 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 142.57 27.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 40.9 t -107.89 -58.57 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.7 m 50.48 88.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -47.71 168.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t 59.99 152.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.05 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.73 83.59 0.61 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.07 115.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -176.1 142.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.6 151.07 5.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 m -59.02 168.01 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.467 ' HB2' HD21 ' A' ' 39' ' ' LEU . 11.3 p30 -93.8 144.22 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 34.5 p90 -154.23 124.4 6.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.766 HD21 ' HB1' ' A' ' 112' ' ' ALA . 4.2 tp -123.2 112.96 18.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -145.18 155.03 43.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.563 HD13 ' CG1' ' A' ' 108' ' ' ILE . 3.3 mt -124.48 149.37 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.576 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 5.8 m-20 -114.71 148.19 38.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.431 HG13 ' CA ' ' A' ' 105' ' ' GLU . 10.8 mm -132.6 98.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -152.43 -174.91 5.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' N ' ' HD3' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 64.23 62.94 1.38 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -75.02 135.04 18.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.81 ' O ' HG23 ' A' ' 29' ' ' THR . 4.2 pt20 -140.65 128.69 22.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.2 m -95.38 155.13 16.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.75 HG11 ' CE1' ' A' ' 28' ' ' PHE . 2.3 m -96.87 166.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.18 142.71 48.52 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 24' ' ' GLY . 1.5 p -48.18 164.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' N ' ' CG2' ' A' ' 23' ' ' VAL . . . 166.56 -57.36 0.24 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.09 126.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 27' ' ' ARG . . . 41.81 47.86 3.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' ALA . 5.7 ptp180 -37.93 150.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.75 ' CE1' HG11 ' A' ' 21' ' ' VAL . 1.6 p90 -139.49 174.87 10.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.81 HG23 ' O ' ' A' ' 19' ' ' GLN . 31.7 m -140.56 149.46 42.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.406 HG23 ' CE2' ' A' ' 28' ' ' PHE . 25.9 p -107.65 -174.8 2.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.528 ' OH ' HG23 ' A' ' 97' ' ' ILE . 72.2 m-85 -148.73 145.29 27.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 96.83 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 15' ' ' ILE . 48.7 t -77.68 91.83 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -97.76 107.98 20.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.465 ' CE ' ' CD2' ' A' ' 42' ' ' PHE . 3.2 tmm? -103.66 154.86 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' SD ' ' A' ' 35' ' ' MET . 2.0 mtt85 -149.48 114.73 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.661 ' HB ' HD12 ' A' ' 11' ' ' LEU . 7.6 t -138.22 171.61 14.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.46 ' ND2' ' CD2' ' A' ' 10' ' ' PHE . 5.3 p30 -131.71 11.92 4.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 9' ' ' ASN . 24.9 mt -81.68 154.96 71.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' ILE . 18.4 Cg_endo -74.94 -38.21 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.776 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.8 pt -38.33 -44.13 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.776 ' CE1' HD11 ' A' ' 41' ' ' ILE . 82.0 m-85 -84.05 136.95 33.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -74.96 -54.31 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.22 144.3 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -80.72 -31.07 36.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 47' ' ' SER . 5.1 tt0 -152.92 142.1 21.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 46' ' ' GLU . 5.5 p -156.7 155.84 32.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.42 121.81 25.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.345 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.9 m -125.12 173.71 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -123.5 118.43 27.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -150.81 154.38 37.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HD3' ' CD2' ' A' ' 28' ' ' PHE . 6.1 ptt180 -107.57 174.85 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 21.7 t80 -50.1 -32.87 16.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.4 t -58.94 -21.26 57.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.539 ' CG ' ' CE1' ' A' ' 126' ' ' PHE . 44.8 t0 -70.99 -66.45 0.61 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.754 ' CD1' HD22 ' A' ' 104' ' ' LEU . 92.7 m-85 -45.41 -38.08 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 53' ' ' TYR . 3.8 mt-10 -61.17 -45.34 95.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -65.79 -42.28 90.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 107.986 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -53.04 61.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -55.21 -64.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -48.67 -34.35 11.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HG2' ' CB ' ' A' ' 122' ' ' CYS . 3.8 tp10 -66.21 -40.8 90.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.513 ' CD1' HD11 ' A' ' 111' ' ' ILE . 18.7 mt -65.11 -49.02 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -67.53 -32.18 72.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -46.83 -66.8 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -132.26 83.35 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.35 127.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -86.27 45.33 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.4 mt -94.64 153.8 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.8 t -93.23 101.98 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.8 t -91.94 138.64 24.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 107' ' ' PHE . 18.4 Cg_endo -74.96 168.42 24.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 143.71 29.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 56' ' ' PHE . 18.4 mt -98.22 150.36 36.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 61.9 5.76 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.45 110.99 3.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.24 124.36 42.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -165.27 113.96 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.3 -63.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -47.92 162.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.71 133.35 43.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 53.74 90.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 110.293 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 83' ' ' LEU . 4.2 mm? -61.85 160.11 30.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 129.39 12.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 t80 63.26 94.32 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 141.75 40.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.34 -74.28 0.42 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -105.48 126.73 52.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -89.48 -56.33 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.27 79.41 0.21 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.53 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.4 pp -118.45 -40.94 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -38.0 -36.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.94 110.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -39.36 -44.27 1.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.39 -59.56 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.53 ' CE2' ' HB ' ' A' ' 91' ' ' ILE . 41.8 t80 -46.21 -54.97 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.528 HG23 ' OH ' ' A' ' 31' ' ' TYR . 3.5 mt -55.12 -61.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -43.3 -57.63 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.54 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -51.1 71.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -39.68 -66.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.2 -44.52 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -46.36 -67.98 1.21 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.434 1.084 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.754 HD22 ' CD1' ' A' ' 56' ' ' PHE . 49.7 mt -49.47 -62.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.431 ' CA ' HG13 ' A' ' 15' ' ' ILE . 1.1 tt0 -39.09 -53.01 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -53.81 53.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 4.3 t80 -49.5 -59.01 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.752 HD12 HG21 ' A' ' 111' ' ' ILE . 6.1 tp -60.21 -40.07 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.01 -45.19 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.86 -40.24 33.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.752 HG21 HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -57.22 -42.4 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.766 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -61.01 -61.26 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -37.23 -34.65 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 115' ' ' PRO . 5.3 t-80 -54.33 131.28 61.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.753 . . . . 0.0 109.643 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 114' ' ' HIS . 18.3 Cg_endo -75.01 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mt -59.44 -41.81 90.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 120' ' ' GLU . . . -68.08 -50.89 52.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.66 ' O ' HD12 ' A' ' 41' ' ' ILE . 66.7 mt-30 -42.7 -27.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.93 -41.88 10.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ALA . 30.0 mm-40 -42.05 148.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.95 -47.55 8.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.403 ' CB ' ' HG2' ' A' ' 62' ' ' GLU . 1.9 p -42.76 -42.53 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.316 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.3 tp -64.19 -57.27 10.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' LEU . 26.6 m-70 -45.67 -42.88 12.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.51 ' SD ' HG23 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -69.69 -40.6 76.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.658 ' HA ' HD11 ' A' ' 132' ' ' ILE . 50.8 t80 -52.26 -24.36 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 124' ' ' HIS . 3.9 mt -122.05 155.76 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 77.02 -54.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.256 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.3 105.97 4.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -47.13 -60.07 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -105.41 129.06 53.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.658 HD11 ' HA ' ' A' ' 126' ' ' PHE . 49.8 mt -81.57 115.85 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -75.88 77.44 2.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -40.0 152.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 57.78 45.72 18.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -69.52 177.32 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.28 122.66 40.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.13 2.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -79.46 -119.57 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -64.73 145.82 55.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.7 m 63.87 86.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 149.02 89.95 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.431 1.082 . . . . 0.0 111.068 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 61.12 5.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.02 94.82 5.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.3 t -117.27 -58.41 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 179.982 . . . . . . . . 0 0 . 1 stop_ save_