data_1x5x_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 1x5x _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.27 116.51 47.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.97 168.96 23.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.48 136.95 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.48 146.63 3.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.53 16.72 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.781 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.12 -175.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.523 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 4.7 tp -133.71 86.4 2.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.454 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 44.6 p -55.13 -60.91 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.371 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.25 132.72 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.84 114.99 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.526 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.11 -165.34 35.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.5 mt -93.46 -48.37 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.792 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 p -119.33 31.92 6.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.526 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 63.3 p-90 -165.61 154.49 11.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.046 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.0 mt -142.04 120.57 12.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.75 100.36 12.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 mt -94.26 160.0 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.454 ' HB2' ' CG2' ' A' ' 17' ' ' THR . 0.0 OUTLIER -143.12 124.48 14.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.494 ' CG ' HG23 ' A' ' 81' ' ' VAL . 40.9 p90 -130.51 161.23 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -124.22 170.02 11.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 4.8 ptmt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.412 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 8.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.554 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 4.2 m-85 -140.06 134.45 31.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.484 HD11 ' CD2' ' A' ' 84' ' ' TYR . 7.3 mt -100.72 119.69 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.1 tp -83.34 117.35 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -102.33 165.14 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.49 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.71 134.64 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.502 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.0 144.67 30.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.802 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' CD ' ' HB3' ' A' ' 46' ' ' MET . 0.1 OUTLIER -122.21 -53.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.603 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 46.9 t80 -113.84 145.22 41.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -149.09 83.83 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.98 -166.09 10.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -119.0 42.83 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.37 148.44 43.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.554 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 41.7 mt -93.11 31.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.93 149.81 3.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.603 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 73.3 t80 -156.35 154.4 30.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m -114.38 95.6 5.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 t -56.57 150.88 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -140.1 171.29 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.8 t30 60.54 75.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.441 HD11 ' CA ' ' A' ' 23' ' ' TRP . 33.3 mt -130.65 -173.22 3.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -124.2 140.57 52.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -60.92 147.57 42.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER 38.96 68.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.6 m -144.6 153.09 41.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 144.97 33.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -147.08 154.66 41.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.441 ' CD ' ' CG1' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -100.98 157.2 16.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' A' ' 46' ' ' MET . 69.6 m-85 -159.58 139.36 11.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -142.44 130.25 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.494 HG23 ' CG ' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -78.16 131.46 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 8.0 mt -123.11 113.35 37.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.35 129.99 36.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.484 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -141.94 163.42 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -123.6 160.18 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -20.78 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.71 -47.19 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.42 -158.16 11.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.47 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -133.08 164.33 27.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.45 -165.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -76.99 152.74 82.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.473 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.03 164.97 32.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.442 ' CB ' HG12 ' A' ' 81' ' ' VAL . 8.7 t -95.36 176.68 6.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.88 143.73 7.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.441 ' CG1' ' CD ' ' A' ' 78' ' ' LYS . 94.7 t -88.24 112.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.424 HG23 ' CE2' ' A' ' 98' ' ' PHE . 34.3 m -100.59 163.02 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -129.75 148.78 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 33.6 m-85 -147.8 162.45 39.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 100' ' ' THR . 2.8 m -123.94 165.47 17.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.419 ' N ' HG21 ' A' ' 99' ' ' THR . 1.9 p -113.84 167.22 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.288 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -68.14 -173.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.7 ttt -80.27 119.93 77.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.466 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.0 167.64 26.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.15 136.94 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.79 147.66 1.56 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.42 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 m -84.5 -178.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tp -134.6 87.78 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 p -59.96 -54.15 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -132.85 151.74 51.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.65 135.68 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.512 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -117.94 162.89 12.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 mt -69.33 -36.56 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -130.6 23.22 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.512 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 69.3 p-90 -155.39 159.75 40.13 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.0 mt -147.09 119.23 8.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.63 99.98 11.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.423 HD22 ' CE2' ' A' ' 98' ' ' PHE . 46.2 mt -96.0 173.48 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.21 117.71 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.472 ' CG ' HG22 ' A' ' 81' ' ' VAL . 37.8 p90 -120.5 165.11 15.42 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.71 169.01 13.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 5.2 m-85 -119.43 123.68 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.507 HD12 ' CD2' ' A' ' 84' ' ' TYR . 88.6 mt -96.97 115.67 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.6 tp -76.09 137.96 40.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -117.51 163.55 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.2 ttp -156.75 134.53 10.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 175.78 10.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.26 -46.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -114.51 160.71 18.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -168.25 80.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.28 175.63 29.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -94.66 40.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -111.63 149.61 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -101.88 32.08 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.99 144.73 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -153.13 148.29 26.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.6 m -109.29 97.29 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.9 t -61.04 150.59 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -143.84 -173.78 4.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 51.47 59.97 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.7 mt -121.95 -165.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.0 156.59 43.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 138.63 42.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.12 77.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -150.22 139.35 21.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -77.23 145.1 37.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.421 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 11.0 m-85 -153.74 146.67 24.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 79' ' ' PHE . 3.5 mttt -105.51 162.59 13.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 78' ' ' LYS . 94.0 m-85 -163.02 136.31 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.11 126.17 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG22 ' CG ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -79.6 129.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.408 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 10.3 mt -122.19 116.47 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.466 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -95.45 114.62 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.507 ' CD2' HD12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -117.3 162.29 18.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.419 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -123.37 149.34 45.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -45.36 -25.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.054 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.68 -47.21 27.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.91 -162.84 21.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -106.68 -177.6 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.49 -168.07 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -79.71 143.31 58.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.408 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.99 164.12 34.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t -96.05 167.62 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.35 120.55 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 78' ' ' LYS . 61.2 t -68.57 119.83 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.0 m -101.8 169.42 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -133.07 146.1 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 22.1 m-85 -147.81 169.97 18.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.2 m -138.7 147.32 42.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.9 p -78.7 -175.57 4.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.25 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -81.19 -173.08 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.9 ttt -66.65 116.27 32.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.463 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 166.25 29.6 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.71 137.09 34.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.68 145.53 2.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.04 9.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.94 -174.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tp -138.31 92.5 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 p -57.99 -51.72 68.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 110.414 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 154.75 48.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.6 119.46 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.514 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -98.85 174.27 27.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.2 mt -80.72 -33.49 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.1 p -132.12 23.84 4.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.514 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 63.6 p-90 -158.44 155.11 27.99 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.2 mt -140.2 116.13 10.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.71 104.14 16.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.9 mt -98.98 164.68 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.16 117.59 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.7 p90 -122.34 163.79 19.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 107.979 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -127.84 175.05 8.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.473 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 27.3 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.608 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 9.7 m-85 -121.86 126.76 49.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.6 mt -97.01 112.68 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.4 tp -76.67 111.52 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -97.33 163.88 12.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.461 ' HB3' ' CD ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -162.68 144.75 10.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' N ' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.51 38.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.461 ' CD ' ' HB3' ' A' ' 46' ' ' MET . 0.1 OUTLIER -129.03 -50.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.537 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 44.9 t80 -117.69 156.59 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.16 82.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.65 169.69 29.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.23 41.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.09 148.91 32.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.608 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 21.9 mt -99.45 33.03 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.77 140.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.537 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 90.2 t80 -151.69 156.55 40.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.6 m -119.67 103.88 9.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.7 t -68.57 145.85 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -134.59 174.82 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 63.86 66.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.447 HD13 ' CA ' ' A' ' 23' ' ' TRP . 41.1 mt -124.49 -175.86 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -119.76 147.56 44.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 146.15 55.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.99 74.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 99.0 m -150.22 163.4 38.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.75 154.43 31.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.409 ' CE1' ' HE3' ' A' ' 46' ' ' MET . 33.5 m-85 -153.69 145.29 23.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -100.77 129.65 46.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -129.32 149.31 51.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -145.97 133.96 21.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.0 p -88.05 129.45 39.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.474 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 5.9 mt -120.01 116.26 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.463 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -91.6 117.55 29.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.473 ' CE1' ' HB2' ' A' ' 41' ' ' SER . 0.4 OUTLIER -128.14 163.02 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.77 164.29 19.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 m -54.14 -20.05 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.1 -47.23 13.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.04 -156.31 10.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.569 1.168 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 1.5 pttp -131.26 156.67 45.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.84 -166.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -76.13 150.06 82.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.01 159.6 41.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -91.15 175.33 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.96 128.15 26.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.3 t -72.77 122.44 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.7 m -101.35 162.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.32 141.95 49.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -144.06 170.78 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -132.33 146.81 52.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.2 p -92.56 177.19 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.009 -0.419 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -69.94 -175.53 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.8 ttt -74.98 120.02 79.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.467 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.09 167.39 27.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.08 137.13 34.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 146.4 1.63 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.07 11.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.404 HG21 ' CB ' ' A' ' 27' ' ' GLN . 2.2 m -84.13 -170.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tp -141.15 96.39 2.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.8 p -65.8 -55.5 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.05 143.95 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.82 115.11 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.91 161.12 22.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.6 mt -67.98 -34.67 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.0 p -131.7 22.67 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.51 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 64.8 p-90 -156.36 153.96 29.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.5 mt -140.3 121.36 14.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.2 100.91 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.8 mt -93.09 161.79 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.404 ' CB ' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -143.95 112.61 6.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -112.19 163.37 14.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.62 173.68 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.568 ' CE1' HD23 ' A' ' 64' ' ' LEU . 4.0 m-85 -139.96 123.9 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.454 HD11 ' CD2' ' A' ' 84' ' ' TYR . 20.4 mt -96.66 123.48 48.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.3 tp -87.02 110.52 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -94.24 162.19 13.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.493 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -162.09 140.23 8.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.413 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.0 133.5 16.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.771 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -102.97 -61.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -108.75 151.75 25.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -146.0 84.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.89 -165.41 12.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -123.15 46.72 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -116.57 154.98 29.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.568 HD23 ' CE1' ' A' ' 42' ' ' TYR . 25.3 mt -99.21 29.05 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.34 147.64 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -156.85 158.78 37.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -117.37 105.28 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 t -70.54 148.11 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -136.18 172.06 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 59.26 78.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.438 HD13 ' CA ' ' A' ' 23' ' ' TRP . 21.8 mt -136.74 -176.97 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.68 144.92 48.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 142.44 58.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.2 p 42.08 78.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.5 m -147.51 128.01 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.99 124.81 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -132.43 144.41 50.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' CG ' ' HG3' ' A' ' 97' ' ' GLU . 11.0 mtpt -111.31 136.21 50.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 81.4 m-85 -133.7 146.86 51.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -143.1 132.12 22.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.5 p -85.58 132.14 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 6.8 mt -122.93 112.97 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.467 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.24 119.46 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -126.83 161.34 28.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.402 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 7.8 t30 -124.0 152.7 42.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -45.54 -25.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.04 -47.33 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.91 176.11 45.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.99 157.64 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.41 -164.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -76.94 150.03 80.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.94 160.44 40.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t -92.1 177.67 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.991 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.71 131.08 48.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.03 119.56 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.505 HG22 ' CE2' ' A' ' 98' ' ' PHE . 34.9 m -102.38 167.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 tt0 -133.08 153.66 51.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.505 ' CE2' HG22 ' A' ' 96' ' ' VAL . 35.9 m-85 -153.63 173.18 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 100' ' ' THR . 6.9 m -138.7 150.14 45.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.411 ' N ' HG23 ' A' ' 99' ' ' THR . 21.7 p -93.14 175.42 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -73.11 -174.26 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 ttt -78.26 120.49 81.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.44 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.03 164.43 33.3 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.441 1.758 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.7 136.73 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.99 146.41 2.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.3 20.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -91.13 -169.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.527 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 3.3 tp -138.19 87.33 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 43.4 p -56.17 -61.05 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.72 131.28 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.28 118.65 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.11 -165.3 31.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 mt -90.51 -47.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.3 p -119.96 31.48 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.35 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 68.4 p-90 -163.35 158.72 21.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 108.01 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.1 mt -147.53 123.38 10.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.0 101.28 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.48 HD21 ' CE2' ' A' ' 98' ' ' PHE . 30.7 mt -94.93 165.94 12.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.417 ' HB2' ' CG2' ' A' ' 17' ' ' THR . 0.0 OUTLIER -146.37 125.89 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.414 ' NE1' ' HA ' ' A' ' 64' ' ' LEU . 49.1 p90 -132.56 165.44 24.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.13 161.56 34.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.617 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -135.5 142.62 45.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.9 mt -108.46 127.42 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.3 tp -87.55 108.9 19.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.37 149.6 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.41 ' HB3' ' CD ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -156.13 139.23 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 132.6 15.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.429 ' HE3' ' CG1' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -109.25 -54.17 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.438 ' OH ' ' N ' ' A' ' 63' ' ' ASP . 38.8 t80 -111.82 154.08 25.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -159.36 81.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.6 -171.42 17.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -94.66 -9.53 34.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 10.8 m-20 -71.59 158.55 36.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.617 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 1.3 mt -112.64 23.19 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.8 135.59 15.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -149.4 158.4 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.1 m -119.79 100.62 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.429 ' CG1' ' HE3' ' A' ' 58' ' ' LYS . 78.4 t -63.31 148.81 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -136.04 168.84 18.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 61.93 72.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.6 mt -128.7 -166.43 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -122.53 149.34 44.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.29 153.49 31.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 41.09 61.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.0 m -142.39 169.54 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.82 151.64 44.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -153.73 142.76 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' HB3' ' CG1' ' A' ' 95' ' ' VAL . 16.2 mtpt -94.96 148.69 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.4 ' CE2' ' HG3' ' A' ' 46' ' ' MET . 53.6 m-85 -142.32 144.99 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -143.65 125.64 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.6 p -84.0 126.61 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.452 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 9.5 mt -118.09 117.92 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.44 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -95.83 118.94 33.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -127.2 162.44 26.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 88' ' ' GLY . 1.6 t-20 -123.6 151.56 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.5 m -48.76 -22.97 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -79.31 -47.45 15.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 85' ' ' ASN . . . -163.8 -164.93 20.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.422 ' CD ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -115.95 -170.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.78 -167.71 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -82.05 146.07 54.47 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.452 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.01 163.91 34.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.557 1.819 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.7 t -96.06 163.91 12.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.39 125.66 8.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 78' ' ' LYS . 91.3 t -69.42 124.8 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.46 163.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -125.82 144.01 50.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 14.6 m-85 -146.83 165.21 30.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -131.08 155.48 46.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.0 p -96.87 178.1 5.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.436 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 108.337 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -173.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.6 ttt -69.96 117.26 52.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.97 176.21 10.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.63 139.99 30.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.68 147.56 1.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.04 11.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -81.78 -176.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tp -140.9 95.42 2.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.4 p -66.97 -57.15 7.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.17 146.91 50.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.52 117.45 29.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -100.42 166.5 19.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.429 HG12 ' CB ' ' A' ' 101' ' ' CYS . 26.0 mt -70.31 -41.79 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.3 p -125.34 23.35 7.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.51 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 65.0 p-90 -155.68 154.13 31.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 108.014 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 mt -143.31 114.54 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.41 103.22 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.053 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 98' ' ' PHE . 31.1 mt -99.85 164.36 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.96 115.9 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.487 ' CG ' HG23 ' A' ' 81' ' ' VAL . 44.1 p90 -115.64 164.4 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -125.5 164.06 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.58 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 2.9 m-85 -125.69 136.53 53.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mt -101.27 112.97 36.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.5 tp -82.14 117.39 22.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.76 161.79 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.3 ttp -162.43 123.67 2.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.16 28.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -48.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.588 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 52.6 t80 -110.33 158.95 17.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.62 77.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.0 171.12 24.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -94.93 46.63 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.32 148.08 45.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.58 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 27.4 mt -95.84 29.13 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.02 141.12 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 72.4 t80 -149.41 153.35 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -112.6 96.91 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.0 t -58.28 147.02 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -134.57 178.83 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.82 85.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.1 mt -140.57 -164.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -125.49 151.65 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -73.61 137.4 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.354 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.84 79.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.29 142.39 26.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.01 128.89 34.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.498 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 6.3 m-85 -138.23 152.64 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.406 ' CD ' ' CG1' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -110.99 151.49 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 77' ' ' TYR . 87.8 m-85 -150.1 137.34 19.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -139.27 126.08 20.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.487 HG23 ' CG ' ' A' ' 28' ' ' TRP . 1.4 p -78.84 127.74 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 11.1 mt -120.93 109.39 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.417 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.42 125.5 35.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.462 ' HB2' ' CB ' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -135.94 164.51 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.16 155.07 37.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -20.23 4.4 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -85.43 -47.25 10.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.3 172.34 39.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 2.6 ptmm? -110.74 162.87 14.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.47 -166.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -82.39 155.24 69.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.458 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.98 163.71 34.82 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 t -94.4 177.26 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -55.78 125.7 22.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.406 ' CG1' ' CD ' ' A' ' 78' ' ' LYS . 75.7 t -70.83 117.77 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.5 m -101.06 171.98 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -132.9 146.65 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 26' ' ' LEU . 13.0 m-85 -144.71 176.5 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -144.82 147.0 32.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.5 p -88.74 175.09 7.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.429 ' CB ' HG12 ' A' ' 21' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -176.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.5 ttt -57.94 116.59 14.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.4 Cg_endo -75.02 174.48 12.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.57 137.25 32.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.38 147.62 3.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.98 11.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.433 1.754 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.3 m -86.74 -174.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 tp -137.39 103.42 5.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p -74.23 -56.85 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.402 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.42 129.99 38.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.47 116.91 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -96.83 173.29 29.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -75.43 -49.47 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -118.37 24.45 10.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 68.0 p-90 -156.97 154.46 29.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 mt -139.15 116.36 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.04 100.01 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.493 HD23 ' CE2' ' A' ' 98' ' ' PHE . 57.5 mt -93.66 166.23 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.54 114.06 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.496 ' CG ' HG23 ' A' ' 81' ' ' VAL . 39.1 p90 -120.26 160.67 22.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -126.15 175.75 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.518 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -126.03 131.99 52.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.483 HD13 ' CD1' ' A' ' 84' ' ' TYR . 8.1 mt -100.51 122.07 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.434 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 18.4 tp -87.38 110.48 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -98.36 162.76 13.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.556 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.84 137.12 6.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.493 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.03 140.54 25.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -46.7 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.623 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.1 t80 -115.19 162.77 16.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.67 90.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.04 -173.64 21.2 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -114.23 36.8 3.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -111.84 152.37 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -95.18 31.43 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.93 147.14 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.623 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 53.4 t80 -152.56 158.66 42.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -115.21 98.82 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.93 145.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -135.49 179.24 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 60.99 70.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.9 mt -134.45 -176.71 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.8 155.43 41.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.9 150.48 45.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.18 75.14 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.9 m -149.04 164.49 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 147.51 44.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -149.68 151.0 32.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -106.77 131.46 53.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 70.7 m-85 -132.5 144.34 50.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -139.26 129.2 24.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.496 HG23 ' CG ' ' A' ' 28' ' ' TRP . 1.4 p -80.39 127.19 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 10.0 mt -118.36 111.82 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.456 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.31 122.86 33.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.518 ' CE1' ' HB2' ' A' ' 41' ' ' SER . 0.5 OUTLIER -136.6 164.14 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -123.64 163.08 21.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -57.08 -17.16 9.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.09 -47.22 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.26 -168.33 28.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -126.22 158.87 34.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.7 -168.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -74.86 151.99 86.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.1 Cg_endo -75.01 163.55 35.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -97.86 162.41 13.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.47 129.36 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.7 t -75.79 118.54 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.5 m -100.76 168.35 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -129.5 153.52 47.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.493 ' CE2' HD23 ' A' ' 26' ' ' LEU . 20.1 m-85 -148.35 174.67 11.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 100' ' ' THR . 6.3 m -138.36 153.98 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.4 ' N ' HG23 ' A' ' 99' ' ' THR . 1.6 p -97.46 -172.72 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 108.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -73.87 -175.11 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 7.2 ttt -72.12 122.63 87.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.01 -179.71 5.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.96 141.63 29.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.531 ' N ' ' HG ' ' A' ' 93' ' ' SER . 0.0 OUTLIER -47.13 146.12 3.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.72 10.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 m -80.93 179.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 4.5 tp -135.45 86.18 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.5 p -56.42 -61.27 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.442 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.77 138.35 52.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.72 115.7 28.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.511 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.05 -172.9 37.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 mt -87.18 -44.13 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.4 p -121.88 17.74 10.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.511 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.8 p-90 -148.95 156.74 42.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 107.956 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.9 mt -146.45 115.07 6.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.98 100.17 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.466 HD22 ' CE2' ' A' ' 98' ' ' PHE . 49.1 mt -95.65 162.99 13.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.16 113.14 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CZ3' HD11 ' A' ' 44' ' ' LEU . 33.5 p90 -113.58 160.2 18.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -122.85 166.22 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 4.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.601 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 10.5 m-85 -124.98 121.78 35.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.4 mt -98.45 120.31 47.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.511 HD11 ' CZ3' ' A' ' 28' ' ' TRP . 21.1 tp -80.52 110.0 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -93.44 164.5 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.455 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 1.5 tmm? -159.82 143.63 14.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 141.27 26.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -117.33 -48.91 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.371 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.526 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 28.4 t80 -118.44 160.33 21.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -161.59 86.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.11 170.78 29.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -96.94 44.13 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.55 146.75 43.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.601 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 17.9 mt -96.58 34.68 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.97 134.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 60.1 t80 -145.9 156.22 43.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.9 m -114.6 99.04 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.466 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 61.3 t -67.16 121.9 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -112.2 174.48 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 65.09 75.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.8 mt -134.56 178.94 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.37 156.56 28.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.46 137.67 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.3 75.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.1 m -145.03 137.27 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.373 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 146.46 29.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 10.4 m-85 -152.36 147.55 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -110.41 134.55 52.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 77' ' ' TYR . 92.4 m-85 -137.09 139.23 41.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -139.02 124.98 19.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.3 p -78.46 133.35 30.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.2 mt -126.73 114.92 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -93.36 122.32 35.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 0.2 OUTLIER -126.44 161.54 27.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 1.5 t30 -123.79 151.8 42.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 m -49.28 -22.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -78.9 -42.4 27.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.19 -165.68 29.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.9 175.6 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -131.17 -165.22 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -86.17 149.49 50.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.45 27.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.531 ' HG ' ' N ' ' A' ' 13' ' ' SER . 6.2 t -103.9 159.2 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.74 120.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.09 120.65 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.8 m -102.46 169.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -132.59 144.9 50.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.334 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 15.2 m-85 -145.82 154.74 42.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 m -127.13 146.51 50.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.6 p -91.53 175.25 6.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.048 -0.404 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -89.26 -174.21 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.7 ttt -66.89 120.89 75.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.429 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.04 -175.81 2.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.83 136.41 40.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.89 144.84 1.78 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.72 10.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.4 m -82.22 176.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 8.7 tp -126.08 81.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.9 p -53.76 -54.42 38.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.67 140.51 38.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.9 117.52 32.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.506 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.37 178.73 31.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.1 mt -79.64 -47.95 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -120.54 29.92 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.506 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.3 p-90 -163.23 156.45 19.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.6 mt -143.92 114.24 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.8 103.67 16.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.6 mt -100.95 163.41 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.85 124.38 16.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.3 p90 -130.31 160.28 34.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 m -126.74 171.45 11.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 13.5 m-85 -130.51 129.0 42.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.553 HD11 ' CD2' ' A' ' 84' ' ' TYR . 16.7 mt -97.91 117.83 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.5 tp -82.5 108.99 16.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.463 ' OE1' ' CD1' ' A' ' 82' ' ' ILE . 5.1 mt-10 -96.45 165.02 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.423 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -162.24 136.76 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.38 29.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.26 -46.07 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.607 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 40.6 t80 -116.37 159.44 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -159.29 87.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.95 -177.61 24.98 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -111.94 44.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.72 149.56 40.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.432 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 31.0 mt -94.22 30.93 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.22 141.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.607 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 79.5 t80 -147.79 158.84 44.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.1 m -117.49 96.43 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.62 146.89 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.79 176.53 8.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 57.08 71.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.461 HD11 ' CA ' ' A' ' 23' ' ' TRP . 41.7 mt -129.53 -171.99 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -123.12 148.86 45.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 147.29 49.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.76 77.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.9 m -150.22 167.2 27.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.1 129.77 51.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -132.88 144.55 50.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -96.82 132.36 42.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 46' ' ' MET . 54.1 m-85 -131.42 145.98 52.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -141.69 135.56 29.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.7 p -88.29 127.57 41.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.464 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 7.5 mt -119.1 115.93 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.429 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -91.95 128.74 37.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.553 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -137.77 161.23 37.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 14.9 t30 -123.89 152.02 42.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -46.25 -25.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.72 -47.32 17.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.64 173.78 44.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.95 161.08 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.9 -166.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -76.15 154.18 84.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.464 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.99 163.91 34.4 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.97 168.39 10.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.07 130.55 10.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.7 t -79.0 123.52 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.425 HG21 ' CE2' ' A' ' 98' ' ' PHE . 34.7 m -104.91 168.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 7.0 tt0 -132.27 154.11 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 30.0 m-85 -152.82 169.73 22.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 100' ' ' THR . 4.1 m -132.22 146.15 51.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.41 ' N ' HG22 ' A' ' 99' ' ' THR . 40.1 p -91.72 -178.31 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 108.259 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.3 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.3 ttt -58.33 116.42 14.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.07 163.89 34.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.12 136.88 37.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.91 146.59 5.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 127.56 10.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -84.68 -175.04 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 3.0 tp -138.51 89.53 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 30.9 p -62.07 -60.25 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.3 OUTLIER -125.98 129.25 48.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.259 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.57 114.44 28.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.516 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -94.22 172.42 31.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.2 mt -75.58 -49.07 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -115.87 28.55 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.516 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.1 p-90 -165.77 155.6 12.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.0 mt -141.14 119.85 12.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.83 100.88 13.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.9 mt -93.27 160.8 14.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.6 115.59 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.0 p90 -122.55 166.84 14.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 107.984 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -128.58 179.54 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.598 ' OG ' ' CE2' ' A' ' 84' ' ' TYR . 59.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.489 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.9 m-85 -124.18 130.74 53.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.493 HD12 ' CD2' ' A' ' 84' ' ' TYR . 13.1 mt -96.59 116.38 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.5 tp -81.78 111.07 17.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -96.22 165.49 12.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.487 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.76 150.78 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.6 28.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 -46.43 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 52.7 t80 -118.6 163.86 16.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -166.47 83.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.3 175.6 23.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.25 39.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.98 160.36 19.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.459 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 9.2 mt -107.87 24.34 13.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.17 140.75 9.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.599 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 87.9 t80 -151.19 155.49 38.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 m -115.65 104.36 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 93.0 t -68.75 146.1 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.5 176.95 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 59.92 66.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.428 HD13 ' CA ' ' A' ' 23' ' ' TRP . 39.1 mt -125.78 -174.73 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -125.79 144.02 50.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 149.9 47.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.46 77.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.9 m -150.19 171.57 16.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.93 121.95 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.452 ' CD1' ' HE3' ' A' ' 46' ' ' MET . 13.9 m-85 -135.55 155.46 50.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 79' ' ' PHE . 5.2 mtmt -114.07 171.08 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' A' ' 78' ' ' LYS . 96.5 m-85 -163.18 133.68 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.01 125.29 27.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.1 p -80.34 128.3 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 7.1 mt -119.46 112.83 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -93.28 125.08 37.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.598 ' CE2' ' OG ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -132.89 161.55 33.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 88' ' ' GLY . 3.4 t30 -123.83 151.91 42.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -43.33 -26.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 85' ' ' ASN . 44.4 mt-10 -73.93 -47.53 37.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' ASN . . . -168.36 -157.83 11.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.16 149.28 52.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.75 -172.39 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -73.18 153.83 90.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -74.98 162.29 37.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.7 t -91.76 172.95 8.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.35 128.18 30.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.47 HG12 ' CD ' ' A' ' 78' ' ' LYS . 77.8 t -70.7 118.32 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.5 m -100.56 160.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.565 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 mp0 -117.0 155.26 29.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 16.2 m-85 -156.08 166.56 33.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 m -140.48 147.9 40.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.4 p -86.61 178.24 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 108.316 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -59.87 -175.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 ttt -68.27 115.79 32.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 165.86 30.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.79 138.23 35.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.93 147.48 0.89 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.23 37.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.51 ' CG2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -110.76 164.89 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' A' ' 15' ' ' VAL . 4.5 tp -116.98 91.54 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -59.42 -58.14 9.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.46 130.5 44.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.68 120.33 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -102.91 169.02 18.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.0 mt -73.0 -54.92 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.598 0.822 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -111.1 24.81 12.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.408 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 67.7 p-90 -159.44 154.11 24.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 107.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.2 mt -137.78 115.48 11.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.99 100.7 12.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.471 HD12 ' CD2' ' A' ' 44' ' ' LEU . 15.4 mt -88.67 173.86 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.443 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 1.3 tt0 -164.83 125.97 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -133.95 164.01 28.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 m -127.77 171.03 12.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 5.6 m-85 -131.75 135.08 46.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.4 mt -97.19 118.43 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 26' ' ' LEU . 26.9 tp -86.55 100.01 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -92.65 160.33 15.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 9.9 ttp -160.45 134.16 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.56 19.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.23 -39.61 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.56 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 57.9 t80 -120.12 160.22 23.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -166.69 84.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.91 -177.11 22.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -107.93 44.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -118.41 153.86 33.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 mt -101.75 30.29 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.22 143.78 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 92.2 t80 -156.31 152.7 27.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.4 m -114.24 110.23 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.1 t -76.86 142.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.223 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -128.75 176.3 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 62.89 68.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.445 HD12 ' CA ' ' A' ' 23' ' ' TRP . 68.1 mt -127.39 -174.44 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -128.97 142.04 51.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.249 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 147.24 30.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.424 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.3 OUTLIER 39.5 78.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.027 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.7 m -147.88 147.06 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.69 138.3 39.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -145.32 146.33 31.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.402 ' CG ' ' HG2' ' A' ' 97' ' ' GLU . 23.6 mtpt -105.32 137.4 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 91.5 m-85 -132.5 145.1 50.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.63 130.84 30.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -90.89 124.32 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.475 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 7.1 mt -118.54 120.68 64.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.432 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -96.3 121.11 37.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -129.8 162.5 28.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.408 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 53.2 m-20 -123.51 149.85 44.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.8 t -46.82 -24.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -80.62 -47.42 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.84 170.1 41.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 3.7 ptmm? -103.68 166.7 10.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.51 -163.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -82.5 152.73 67.54 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.475 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -75.01 162.47 37.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 t -100.15 175.41 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.21 128.85 35.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 63.1 t -77.39 130.46 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -113.9 164.11 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -125.63 157.18 37.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 25.9 m-85 -154.04 158.46 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 m -121.71 152.84 38.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 74' ' ' SER . 8.9 p -86.09 175.8 8.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 108.304 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -169.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 ttp -77.12 122.1 85.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.458 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.99 170.73 19.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.93 136.88 33.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.18 144.46 4.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.41 9.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 m -82.55 -172.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 tp -134.48 88.25 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.0 p -61.23 -59.66 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.5 135.85 52.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.67 118.07 32.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.85 -166.55 30.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 73' ' ' ARG . 8.0 mt -93.6 -43.71 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -121.98 21.14 10.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.484 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 68.2 p-90 -153.55 155.41 36.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.7 mt -140.64 119.49 12.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.6 100.61 12.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.77 154.35 18.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -137.72 131.3 31.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.488 ' CG ' HG21 ' A' ' 81' ' ' VAL . 42.9 p90 -131.88 163.9 27.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -125.44 178.34 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.494 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 50.0 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.551 ' CE1' HD21 ' A' ' 64' ' ' LEU . 5.1 m-85 -130.48 131.82 45.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.2 mt -100.4 134.83 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.7 tp -104.57 108.11 19.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -97.61 164.35 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.414 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -155.66 135.39 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.66 15.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.774 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.69 -34.75 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.605 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 46.3 t80 -124.03 163.77 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -166.25 82.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.06 -175.98 22.72 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -111.79 42.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.65 154.91 24.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.551 HD21 ' CE1' ' A' ' 42' ' ' TYR . 16.0 mt -101.83 29.41 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.28 143.35 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.605 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 91.3 t80 -152.97 159.0 42.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -122.55 106.04 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.8 t -69.91 151.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -142.26 170.07 16.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 65.66 60.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -120.2 -168.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.73 150.49 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.447 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -73.33 140.12 46.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.45 77.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.8 m -149.17 156.77 42.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -109.71 115.73 30.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.414 ' CE1' ' HE2' ' A' ' 46' ' ' MET . 12.6 m-85 -123.48 147.69 46.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.428 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -99.69 160.5 14.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 78' ' ' LYS . 97.8 m-85 -158.79 141.95 14.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -146.4 127.52 14.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.488 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.1 p -83.07 130.12 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.466 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 12.8 mt -120.78 114.35 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.18 117.25 28.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -126.43 162.5 25.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 88' ' ' GLY . 1.8 m-20 -123.7 150.71 43.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t -42.19 -27.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 85' ' ' ASN . 1.5 mt-10 -73.67 -47.85 36.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.88 -155.72 9.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.51 157.11 45.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.55 -164.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -77.94 151.92 79.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.466 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.6 Cg_endo -74.96 165.4 31.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.769 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.7 t -92.41 175.81 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.57 116.12 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.422 ' CG1' ' CD ' ' A' ' 78' ' ' LYS . 88.1 t -57.08 131.55 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.6 m -112.38 168.27 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -134.03 136.14 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -139.67 171.44 14.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -138.71 148.76 44.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.1 p -80.51 179.66 7.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 108.325 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -66.75 -178.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.4 ttt -62.67 119.6 52.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 -170.53 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.1 138.07 39.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.25 144.29 4.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.29 18.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.454 HG21 ' CB ' ' A' ' 27' ' ' GLN . 2.3 m -90.07 -177.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 3.6 tp -136.37 86.63 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 46.8 p -55.85 -57.05 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.89 137.31 44.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.07 115.16 28.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -94.28 -173.33 38.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.3 mt -87.49 -43.54 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 p -121.41 24.01 10.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.501 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 60.4 p-90 -159.23 155.87 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -141.74 115.73 9.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.81 101.9 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 mt -94.69 162.61 13.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' HB2' ' CG2' ' A' ' 17' ' ' THR . 0.0 OUTLIER -150.48 111.28 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CZ3' HD11 ' A' ' 44' ' ' LEU . 39.4 p90 -115.01 164.0 14.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 107.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -124.7 165.53 17.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.4 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 15.1 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.538 ' CE1' HD22 ' A' ' 64' ' ' LEU . 4.0 m-85 -142.08 127.77 19.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.422 HD13 ' CD2' ' A' ' 84' ' ' TYR . 23.9 mt -99.74 121.1 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.485 HD11 ' CZ3' ' A' ' 28' ' ' TRP . 28.9 tp -88.75 114.7 25.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 -108.02 156.83 18.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 21.1 ttp -152.12 127.91 10.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 141.02 26.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.35 -43.59 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.6 t80 -115.36 154.11 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.35 84.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.04 171.89 30.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.55 36.3 1.39 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 0.734 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.22 157.2 17.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' A' ' 42' ' ' TYR . 13.5 mt -104.09 27.48 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -175.36 141.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 48.4 t80 -145.23 153.46 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 m -104.84 94.91 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.04 142.72 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -134.76 167.42 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 69.89 64.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.436 HD13 ' CA ' ' A' ' 23' ' ' TRP . 43.2 mt -125.45 -175.67 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -119.05 148.15 43.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.6 ptt-85 -70.09 147.21 50.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.0 p 39.63 67.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -143.83 165.02 28.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.421 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' N ' ' CG2' ' A' ' 75' ' ' THR . 0.2 OUTLIER -116.98 145.47 43.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -147.19 146.76 29.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -98.94 142.17 30.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 92.3 m-85 -140.45 149.37 42.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -146.48 130.4 17.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.444 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.1 p -89.85 130.29 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 8.5 mt -120.64 118.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.434 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -92.09 116.19 28.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.494 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -123.39 162.28 23.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.9 OUTLIER -123.71 150.61 44.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.4 t -42.7 -26.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 85' ' ' ASN . 2.6 mt-10 -74.09 -47.64 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.78 -155.8 9.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -130.45 153.48 48.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -162.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -81.26 152.79 71.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.462 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.99 159.31 41.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.68 -179.71 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.068 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.73 129.21 40.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.37 122.05 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.408 HG21 ' CE2' ' A' ' 98' ' ' PHE . 35.5 m -101.16 162.78 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 144.49 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 19.5 m-85 -145.2 170.72 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -134.35 146.73 50.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.358 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 p -78.33 -179.76 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.76 172.17 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.4 ttt -58.18 115.57 11.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.06 164.0 34.12 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.89 135.92 35.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.34 147.18 1.03 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.35 31.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.523 ' CG2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -108.98 165.14 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.523 ' N ' ' CG2' ' A' ' 15' ' ' VAL . 5.9 tp -114.06 114.53 26.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.0 p -80.92 -48.38 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.69 129.11 22.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.67 117.84 35.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -97.73 177.33 31.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.6 mt -80.26 -43.77 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.8 p -123.46 27.6 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.436 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 64.7 p-90 -161.14 153.1 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 71' ' ' LEU . 41.3 mt -138.42 112.36 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.13 101.85 13.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.6 mt -88.88 175.02 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' VAL . 1.4 tt0 -158.47 123.88 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.1 p90 -133.75 161.2 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 108.035 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -132.2 166.14 22.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.458 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -145.6 125.15 13.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.49 HD13 ' CD2' ' A' ' 84' ' ' TYR . 13.7 mt -100.73 124.99 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 tp -92.47 117.49 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -104.46 164.37 11.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -161.14 135.36 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 126.07 9.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -34.76 7.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 72.6 t80 -124.22 152.51 42.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.58 83.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.76 -171.5 18.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -110.42 49.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.09 154.99 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -105.61 28.57 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.9 143.2 3.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 87.8 t80 -151.09 158.99 44.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 m -120.95 100.01 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.351 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.77 145.65 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -138.11 163.48 31.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 72.42 62.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 24' ' ' LEU . 51.2 mt -120.06 -171.3 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -126.61 150.81 48.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 148.89 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 81.1 p 39.58 71.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.3 m -147.94 160.4 42.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.16 152.29 29.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -154.68 141.12 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -95.71 144.35 26.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -139.56 146.06 39.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.446 ' HD2' ' CB ' ' A' ' 92' ' ' PRO . 0.3 OUTLIER -146.99 124.76 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 p -80.17 133.55 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.47 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 13.0 mt -123.38 113.01 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.67 122.79 33.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -131.67 159.94 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 5.0 t-20 -123.94 153.45 41.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -46.92 -24.78 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -76.44 -47.4 23.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.33 -174.67 37.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 153.2 32.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.53 -171.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.936 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -75.51 154.9 85.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.97 160.04 40.73 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -92.62 167.3 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -45.8 128.3 8.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.235 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.98 130.83 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -116.54 165.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -130.15 157.21 43.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -154.24 158.95 41.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -120.88 148.9 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.5 p -92.89 -175.99 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.253 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.65 170.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.7 ttt -57.27 116.92 15.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.04 169.85 21.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.86 136.48 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.57 145.93 7.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 126.45 9.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.74 -170.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 tp -138.62 89.85 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.8 p -60.63 -60.18 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.55 129.17 40.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.49 116.41 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.18 -175.65 37.67 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 mt -86.31 -43.86 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 p -121.87 23.32 10.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.427 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.51 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 66.4 p-90 -156.13 153.92 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 108.026 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.0 mt -139.1 122.08 16.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.03 101.99 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.415 ' CD1' HD21 ' A' ' 44' ' ' LEU . 65.2 mt -97.61 160.97 13.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.23 114.13 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.9 p90 -118.54 159.72 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 107.96 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.2 175.61 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.555 ' CE1' HD21 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -140.67 120.94 13.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.3 mt -97.38 111.41 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.415 HD21 ' CD1' ' A' ' 26' ' ' LEU . 18.8 tp -68.89 109.96 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' OE1' ' CD1' ' A' ' 82' ' ' ILE . 4.0 mt-10 -94.54 164.06 13.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.86 133.28 4.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.43 41.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.67 -59.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.56 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 46.7 t80 -105.69 151.95 23.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.6 85.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.2 172.13 28.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.1 47.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -119.52 145.85 45.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.555 HD21 ' CE1' ' A' ' 42' ' ' TYR . 29.6 mt -93.36 35.82 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -178.0 134.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 47.6 t80 -145.58 155.83 43.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 m -113.35 94.48 4.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.4 t -60.38 132.8 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.93 167.19 12.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.5 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 1.6 m-20 65.07 84.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 70' ' ' ASN . 21.6 mt -142.82 -176.74 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -116.68 151.74 35.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -77.35 151.86 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.78 70.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 76' ' ' LYS . 77.8 m -150.21 165.07 34.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -121.11 149.38 42.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -148.87 153.82 38.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -109.0 128.29 54.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -125.7 161.0 28.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -156.99 135.54 11.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.363 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 2.2 p -92.63 113.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 5.4 mt -104.74 123.06 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -100.58 114.76 28.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.484 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -123.25 161.96 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.416 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 48.5 t30 -123.43 149.6 44.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.36 -24.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 110.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -47.33 22.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -165.44 -166.68 24.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.12 179.14 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.29 -168.0 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -76.95 145.53 74.14 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -75.0 158.12 42.4 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.455 ' CB ' HG12 ' A' ' 81' ' ' VAL . 36.6 p -81.29 168.59 18.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.6 117.04 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.5 t -57.38 116.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.5 m -100.58 164.0 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -129.92 139.09 51.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 16.2 m-85 -145.24 161.45 39.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -128.0 152.12 48.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.3 p -88.54 -176.19 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.313 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.47 170.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.97 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.9 ttt -65.7 125.11 89.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.45 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.95 -171.3 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.8 137.48 42.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.61 146.1 0.77 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.983 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.4 9.93 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 m -82.29 -176.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.531 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 2.7 tp -139.61 99.74 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.0 p -65.55 -54.77 23.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.01 142.94 47.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.04 114.29 27.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.86 166.75 25.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.7 mt -68.54 -46.21 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -121.31 15.38 11.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 62.6 p-90 -145.33 153.54 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -141.59 116.5 9.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.51 106.28 18.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 98' ' ' PHE . 19.2 mt -99.83 169.24 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.54 117.18 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.51 ' CG ' HG23 ' A' ' 81' ' ' VAL . 37.4 p90 -126.57 160.1 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.65 176.17 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 5.2 m-85 -143.63 127.1 16.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.6 mt -98.43 117.35 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.402 HD22 ' CG2' ' A' ' 68' ' ' VAL . 22.7 tp -81.4 112.86 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -97.4 163.6 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.237 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.54 128.7 5.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.67 34.14 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -125.36 -50.98 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.474 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 42.5 t80 -115.64 158.32 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -158.54 83.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.19 171.05 30.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 36.29 1.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.5 152.79 23.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.73 30.4 4.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.47 137.95 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 71.0 t80 -148.44 159.06 44.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.7 m -118.57 93.63 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.402 ' CG2' HD22 ' A' ' 44' ' ' LEU . 69.4 t -61.56 108.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -99.51 -176.25 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m120 53.91 78.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.426 HD11 ' CA ' ' A' ' 23' ' ' TRP . 22.1 mt -138.0 -177.35 4.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -119.82 161.27 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 150.09 24.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.95 70.6 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.157 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -150.29 171.69 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.65 146.88 45.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -150.2 142.3 24.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.46 ' CD ' ' CG1' ' A' ' 95' ' ' VAL . 5.5 ttmt -95.23 150.64 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -151.6 138.65 19.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -140.09 133.0 29.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.51 HG23 ' CG ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -90.57 114.18 27.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 8.4 mt -106.48 117.79 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -93.36 117.21 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.17 163.07 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.41 152.18 41.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.3 m -50.12 -22.07 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.43 -45.41 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.7 -166.31 25.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.94 178.08 4.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.19 -167.06 1.93 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -80.32 145.58 60.18 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.0 156.97 43.02 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.8 m -88.23 175.91 7.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.85 127.85 32.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.46 ' CG1' ' CD ' ' A' ' 78' ' ' LYS . 71.6 t -71.82 116.38 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.3 m -103.71 177.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -143.48 154.62 43.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 23.6 m-85 -149.3 156.07 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.406 HG21 ' N ' ' A' ' 100' ' ' THR . 3.3 m -123.97 163.94 20.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.435 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.406 ' N ' HG21 ' A' ' 99' ' ' THR . 43.0 p -111.36 175.1 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 108.28 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.66 168.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 8.1 ttt -56.4 127.08 71.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.94 -179.03 4.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.19 138.58 32.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.66 144.99 2.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 127.98 11.11 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.412 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.9 m -85.41 -176.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 2.7 tp -141.27 103.86 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.491 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 41.1 p -73.24 -51.79 16.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 134.17 35.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.43 117.44 33.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.515 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -93.97 -176.14 39.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.103 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.5 mt -83.5 -41.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 p -124.88 21.26 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.515 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 65.6 p-90 -153.97 154.24 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.7 mt -143.27 123.85 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.48 101.48 12.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.2 mt -96.57 158.29 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.491 ' OE1' ' CG2' ' A' ' 17' ' ' THR . 2.6 tt0 -138.68 121.38 16.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -132.22 158.98 40.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.025 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.43 159.66 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.495 ' OH ' ' CB ' ' A' ' 30' ' ' LYS . 21.3 m-85 -149.88 135.52 18.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.51 HD13 ' CD2' ' A' ' 84' ' ' TYR . 15.2 mt -102.43 116.35 45.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.2 tp -87.5 108.67 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.26 160.15 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.552 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 19.6 ttp -153.86 124.34 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 148.39 35.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 -48.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.527 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 69.4 t80 -114.61 157.4 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -164.23 78.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.99 178.15 26.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -99.28 51.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -121.09 154.49 36.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 mt -105.27 25.66 10.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.085 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.68 140.41 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.527 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 88.3 t80 -147.82 157.99 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.8 m -113.33 94.53 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.66 97.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -86.57 175.39 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.495 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 20.7 t30 60.7 83.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 70' ' ' ASN . 20.4 mt -142.75 -178.17 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -117.86 140.83 49.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 136.64 58.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.43 ' N ' ' HG1' ' A' ' 100' ' ' THR . 0.4 OUTLIER 41.86 76.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.966 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.5 m -148.54 138.98 22.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.12 150.16 33.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.546 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 2.7 m-85 -155.5 133.69 11.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -95.77 136.73 35.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.552 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 67.5 m-85 -139.51 143.93 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.56 132.16 25.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 p -89.41 132.3 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.437 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 9.2 mt -124.22 116.79 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -91.06 123.4 34.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.51 ' CD2' HD13 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -131.64 162.12 31.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.8 OUTLIER -123.71 150.82 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.74 -26.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 85' ' ' ASN . 62.1 mt-10 -73.85 -47.63 36.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.95 -156.42 10.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 156.67 45.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.59 -164.1 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -80.24 154.03 74.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.437 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.97 164.76 32.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.769 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.414 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 8.6 t -97.71 179.33 4.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.3 124.15 17.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 90.2 t -72.55 118.23 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 32.5 m -102.17 179.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -146.89 141.39 26.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 11.0 m-85 -141.4 154.03 45.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -117.71 148.23 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.43 ' HG1' ' N ' ' A' ' 74' ' ' SER . 44.4 p -83.52 176.36 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.324 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.64 179.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.9 ttt -63.54 116.71 28.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.03 168.56 24.54 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.43 142.53 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.0 145.53 11.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.75 12.64 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.3 m -84.57 -174.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.408 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 2.9 tp -139.13 92.0 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.4 p -66.28 -59.06 4.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.82 137.63 52.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.8 119.52 39.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -96.98 169.12 25.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' CG1' ' HB2' ' A' ' 101' ' ' CYS . 74.1 mt -73.49 -45.52 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 p -121.79 24.17 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.9 p-90 -157.47 158.81 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.5 mt -140.92 128.5 21.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -104.92 100.14 9.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.424 HD21 ' CE2' ' A' ' 98' ' ' PHE . 29.9 mt -94.68 168.17 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.57 116.99 6.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.488 ' CG ' HG22 ' A' ' 81' ' ' VAL . 41.9 p90 -123.45 166.29 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.08 164.71 24.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 1.4 pttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.495 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 3.9 m-85 -136.39 134.05 37.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mt -96.35 120.2 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.5 tp -90.11 108.25 19.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -96.68 162.46 13.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 18.4 ttp -155.51 132.82 10.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.247 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.64 19.34 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.48 -42.1 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 53.5 t80 -113.04 164.07 13.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -174.63 84.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.2 -178.12 23.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.08 39.04 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.55 151.58 37.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 42.2 mt -93.11 27.19 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.64 156.36 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 25.0 t80 -157.04 158.83 37.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.4 m -115.8 94.75 4.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.456 HG21 ' CD2' ' A' ' 66' ' ' TYR . 16.4 t -60.63 146.5 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.35 169.26 17.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 62.93 72.71 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.8 mt -133.7 -168.24 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -130.92 148.11 52.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 149.63 47.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.69 71.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.1 m -150.3 144.86 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.18 150.29 20.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -153.95 146.25 23.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HB3' ' CG1' ' A' ' 95' ' ' VAL . 33.0 mtpt -100.69 131.85 46.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 26.9 m-85 -123.64 155.04 38.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -152.69 129.39 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.488 HG22 ' CG ' ' A' ' 28' ' ' TRP . 1.9 p -87.05 123.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.426 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 12.3 mt -114.77 112.67 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.39 130.26 36.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.509 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -139.79 160.51 39.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 1.0 OUTLIER -123.78 152.03 42.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -44.96 -26.09 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 85' ' ' ASN . 1.3 mt-10 -77.15 -47.0 21.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.17 175.09 46.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -105.53 163.53 12.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.753 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.44 -165.08 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -77.64 152.65 80.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.95 163.08 36.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 t -93.61 -176.56 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.38 129.97 43.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.43 ' CG1' ' HB3' ' A' ' 78' ' ' LYS . 83.2 t -73.83 118.48 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.7 m -101.02 169.2 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.555 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.8 tt0 -131.68 152.43 50.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.555 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 19.7 m-85 -151.69 176.77 11.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 m -138.74 149.5 45.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 43.3 p -96.99 162.97 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.421 ' HB2' ' CG1' ' A' ' 21' ' ' ILE . 1.4 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.288 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.19 174.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 ttt -69.09 122.45 85.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.442 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.6 Cg_endo -74.93 173.17 14.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.99 138.3 31.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.25 145.51 1.83 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 125.73 9.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.798 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.83 -178.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 tp -134.07 88.49 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -58.96 -59.15 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.429 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.1 133.51 44.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.8 118.1 35.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.522 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.67 176.32 33.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.2 mt -78.05 -43.0 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 0.744 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.5 p -125.12 22.0 7.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.522 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.4 p-90 -153.91 155.9 36.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 mt -142.63 117.95 10.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.99 100.69 13.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 mt -94.59 161.82 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.74 112.57 6.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -114.58 160.59 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 107.981 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 m -119.94 171.75 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.505 ' CE1' HD22 ' A' ' 64' ' ' LEU . 7.7 m-85 -133.59 129.56 37.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.453 HD11 ' CD2' ' A' ' 84' ' ' TYR . 9.7 mt -97.77 122.66 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.3 tp -90.02 108.06 19.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -94.2 160.47 14.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.501 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 29.0 ttp -161.78 121.42 2.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 148.93 35.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -46.27 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.583 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 45.5 t80 -115.02 155.94 26.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.53 80.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.47 171.83 25.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.48 44.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.93 151.61 37.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.505 HD22 ' CE1' ' A' ' 42' ' ' TYR . 18.8 mt -98.06 31.28 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.51 145.13 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 70.4 t80 -154.43 159.08 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -118.21 104.29 10.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.32 149.33 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -143.62 165.53 27.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 69.68 60.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.414 HD13 ' CA ' ' A' ' 23' ' ' TRP . 24.8 mt -121.44 -176.24 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -122.44 149.16 44.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 137.11 54.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.01 79.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -149.75 132.71 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 127.14 32.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.501 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 7.5 m-85 -136.21 149.9 48.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.461 ' CD ' HG12 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -111.78 151.17 29.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.501 ' CE2' ' HG3' ' A' ' 46' ' ' MET . 97.0 m-85 -150.31 137.99 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -140.24 127.91 21.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.441 HG13 ' CB ' ' A' ' 93' ' ' SER . 1.1 p -82.58 132.72 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.46 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 4.6 mt -124.17 114.61 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.442 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -92.68 115.23 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -122.95 161.09 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER -123.7 151.63 42.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -25.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -78.06 -47.12 19.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.56 174.54 45.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -104.12 157.5 17.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.81 -168.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.952 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -74.07 150.37 87.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.46 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.0 159.17 41.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.441 ' CB ' HG13 ' A' ' 81' ' ' VAL . 3.0 t -90.49 159.88 16.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -40.92 135.93 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.461 HG12 ' CD ' ' A' ' 78' ' ' LYS . 65.2 t -79.42 124.4 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.3 m -107.99 169.31 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.41 145.87 50.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -145.08 174.13 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.3 m -139.22 166.53 24.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.2 p -115.64 167.14 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.279 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -179.58 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.054 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.3 ttt -66.48 122.37 81.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.01 172.17 16.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.17 136.52 33.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.02 143.64 4.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.09 12.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.8 m -89.5 -174.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 5.2 tp -133.89 88.46 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 43.8 p -55.98 -60.44 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.01 129.51 34.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.64 117.6 34.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.519 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.95 -169.99 35.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.142 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.5 mt -89.47 -43.21 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.8 p -123.08 30.44 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.519 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.6 p-90 -164.77 154.96 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.962 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 mt -141.39 115.33 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.68 99.96 12.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.78 161.57 14.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.455 ' HB2' ' CG2' ' A' ' 17' ' ' THR . 0.0 OUTLIER -144.92 117.89 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.1 p90 -124.46 159.57 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -125.37 166.19 17.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 3.3 m-85 -134.88 133.68 39.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.8 mt -99.62 121.34 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 tp -88.37 102.42 14.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -95.46 160.19 14.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.559 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.93 133.63 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 156.56 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.569 1.826 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.46 -52.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.2 t80 -110.18 148.22 32.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -150.42 79.69 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.44 170.7 26.05 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -97.6 41.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -114.25 150.77 33.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 42' ' ' TYR . 23.4 mt -97.37 26.66 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -167.22 143.16 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 74.1 t80 -151.59 157.98 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -115.97 99.25 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.35 143.44 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.26 170.95 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 60.11 72.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.9 mt -131.23 -169.01 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.29 144.37 50.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.65 149.45 50.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.68 78.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.5 m -148.03 166.1 28.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.42 116.35 24.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -125.41 147.2 49.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.488 ' O ' ' CD2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -94.88 166.68 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 46' ' ' MET . 79.9 m-85 -162.93 149.91 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' HD2' ' CB ' ' A' ' 92' ' ' PRO . 6.8 pttt -153.92 131.98 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.42 131.41 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 5.8 mt -123.35 120.51 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.405 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -92.68 114.67 27.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.508 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -123.08 160.68 25.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 88' ' ' GLY . 59.0 m-20 -123.85 152.68 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.5 -27.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 85' ' ' ASN . 47.8 mt-10 -72.57 -47.18 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -171.81 -155.71 11.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -128.35 155.15 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.08 -164.33 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -76.0 149.95 83.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.471 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -74.96 162.98 36.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -95.67 175.96 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.05 133.29 43.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.422 HG13 ' CD ' ' A' ' 78' ' ' LYS . 99.0 t -80.13 125.25 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.25 164.02 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -130.38 146.12 51.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 19.1 m-85 -148.38 168.72 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 m -131.82 166.61 21.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.6 p -111.56 175.95 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.67 159.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -47.68 141.75 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.59 -162.29 28.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -80.81 119.58 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.984 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.09 149.64 37.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.24 -156.25 15.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.6 19.3 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.27 116.51 47.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.97 168.96 23.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.48 136.95 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.48 146.63 3.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.53 16.72 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.781 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 m -89.12 -175.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.523 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 4.7 tp -133.71 86.4 2.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.454 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 44.6 p -55.13 -60.91 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.371 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.25 132.72 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.84 114.99 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.526 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.11 -165.34 35.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.5 mt -93.46 -48.37 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.792 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 p -119.33 31.92 6.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.526 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 63.3 p-90 -165.61 154.49 11.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.046 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.0 mt -142.04 120.57 12.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.75 100.36 12.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 mt -94.26 160.0 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.454 ' HB2' ' CG2' ' A' ' 17' ' ' THR . 0.0 OUTLIER -143.12 124.48 14.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.494 ' CG ' HG23 ' A' ' 81' ' ' VAL . 40.9 p90 -130.51 161.23 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -124.22 170.02 11.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 4.8 ptmt -78.95 160.88 70.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 168.2 25.36 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 m -76.3 145.05 39.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 41.44 80.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 p -62.61 159.32 43.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -61.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.7 p -172.82 176.07 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.91 109.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.21 156.26 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.78 109.77 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 41' ' ' SER . 32.3 mt -101.97 162.63 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.449 ' N ' ' CG2' ' A' ' 40' ' ' ILE . 8.5 p -115.82 151.09 35.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.554 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 4.2 m-85 -140.06 134.45 31.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.484 HD11 ' CD2' ' A' ' 84' ' ' TYR . 7.3 mt -100.72 119.69 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.1 tp -83.34 117.35 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -102.33 165.14 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.49 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.71 134.64 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.507 ' HB2' ' CG ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -128.21 117.95 22.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.72 68.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -175.94 -54.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 54.4 p -74.62 157.23 35.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.97 87.63 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.41 57.83 4.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -102.38 -53.59 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.43 161.89 11.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.507 ' CG ' ' HB2' ' A' ' 47' ' ' GLU . 10.4 m-85 -76.86 151.51 35.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -121.49 148.71 50.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.502 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.0 144.67 30.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.802 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' CD ' ' HB3' ' A' ' 46' ' ' MET . 0.1 OUTLIER -122.21 -53.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.603 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 46.9 t80 -113.84 145.22 41.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -149.09 83.83 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.98 -166.09 10.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -119.0 42.83 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.37 148.44 43.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.554 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 41.7 mt -93.11 31.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.93 149.81 3.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.603 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 73.3 t80 -156.35 154.4 30.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m -114.38 95.6 5.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 t -56.57 150.88 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -140.1 171.29 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.8 t30 60.54 75.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.441 HD11 ' CA ' ' A' ' 23' ' ' TRP . 33.3 mt -130.65 -173.22 3.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -124.2 140.57 52.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' NH1' ' OD2' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -60.92 147.57 42.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER 38.96 68.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.6 m -144.6 153.09 41.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 144.97 33.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -147.08 154.66 41.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.441 ' CD ' ' CG1' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -100.98 157.2 16.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' A' ' 46' ' ' MET . 69.6 m-85 -159.58 139.36 11.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.505 ' HE3' ' CD2' ' A' ' 55' ' ' PHE . 13.2 ptpt -142.44 130.25 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.494 HG23 ' CG ' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -78.16 131.46 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 8.0 mt -123.11 113.35 37.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.35 129.99 36.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.484 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -141.94 163.42 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -123.6 160.18 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -20.78 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.71 -47.19 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.42 -158.16 11.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.47 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -133.08 164.33 27.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.45 -165.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -76.99 152.74 82.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.473 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.03 164.97 32.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.442 ' CB ' HG12 ' A' ' 81' ' ' VAL . 8.7 t -95.36 176.68 6.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.88 143.73 7.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.441 ' CG1' ' CD ' ' A' ' 78' ' ' LYS . 94.7 t -88.24 112.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.424 HG23 ' CE2' ' A' ' 98' ' ' PHE . 34.3 m -100.59 163.02 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -129.75 148.78 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 33.6 m-85 -147.8 162.45 39.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 100' ' ' THR . 2.8 m -123.94 165.47 17.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.419 ' N ' HG21 ' A' ' 99' ' ' THR . 1.9 p -113.84 167.22 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.34 168.13 29.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.15 13.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 104' ' ' SER . 64.9 t0 -151.53 -67.75 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 1.5 p 86.45 -45.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.66 -162.3 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 108' ' ' SER . 18.4 Cg_endo -75.01 -41.56 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.535 1.808 . . . . 0.0 111.058 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.1 m 68.05 -71.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.959 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' PRO . 43.8 p -72.52 147.09 46.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -66.91 124.24 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.87 146.88 31.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.37 106.98 0.57 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.45 91.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 p -109.85 119.54 39.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.03 -135.94 8.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 169.67 22.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -68.14 -173.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.7 ttt -80.27 119.93 77.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.466 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.0 167.64 26.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.15 136.94 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.79 147.66 1.56 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.42 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 m -84.5 -178.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tp -134.6 87.78 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 p -59.96 -54.15 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -132.85 151.74 51.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.65 135.68 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.512 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -117.94 162.89 12.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 mt -69.33 -36.56 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -130.6 23.22 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.512 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 69.3 p-90 -155.39 159.75 40.13 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.0 mt -147.09 119.23 8.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.63 99.98 11.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 HD22 ' CE2' ' A' ' 98' ' ' PHE . 46.2 mt -96.0 173.48 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.21 117.71 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.472 ' CG ' HG22 ' A' ' 81' ' ' VAL . 37.8 p90 -120.5 165.11 15.42 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.71 169.01 13.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.81 162.3 59.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.47 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.86 119.12 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.66 79.16 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.449 HG22 ' CD1' ' A' ' 40' ' ' ILE . 1.5 p -75.55 156.96 84.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 110.375 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -39.61 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.8 p -123.04 165.33 16.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.12 -57.69 10.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.65 172.09 16.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.77 19.95 6.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.569 1.168 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.449 ' CD1' HG22 ' A' ' 34' ' ' THR . 90.7 mt -97.45 139.84 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -123.53 147.75 46.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 5.2 m-85 -119.43 123.68 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.507 HD12 ' CD2' ' A' ' 84' ' ' TYR . 88.6 mt -96.97 115.67 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.6 tp -76.09 137.96 40.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -117.51 163.55 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.2 ttp -156.75 134.53 10.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -118.11 120.51 37.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HG3' ' CD1' ' A' ' 77' ' ' TYR . 3.2 tm-20 178.97 -58.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' THR . 0.3 OUTLIER -41.97 151.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' GLU . 70.7 p 37.51 71.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' THR . 94.2 p 39.07 63.34 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.87 -96.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.7 OUTLIER 45.02 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 0.726 . . . . 0.0 111.046 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.73 154.69 1.41 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.421 1.075 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CD2' ' HE3' ' A' ' 80' ' ' LYS . 6.4 m-85 -94.41 139.28 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -112.89 146.28 34.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 175.78 10.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.26 -46.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -114.51 160.71 18.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -168.25 80.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.28 175.63 29.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -94.66 40.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -111.63 149.61 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -101.88 32.08 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.99 144.73 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -153.13 148.29 26.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.6 m -109.29 97.29 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.9 t -61.04 150.59 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -143.84 -173.78 4.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 51.47 59.97 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.7 mt -121.95 -165.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.0 156.59 43.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 138.63 42.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.12 77.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -150.22 139.35 21.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -77.23 145.1 37.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.48 ' CD1' ' HG3' ' A' ' 48' ' ' GLU . 11.0 m-85 -153.74 146.67 24.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 79' ' ' PHE . 3.5 mttt -105.51 162.59 13.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 78' ' ' LYS . 94.0 m-85 -163.02 136.31 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.564 ' HE3' ' CD2' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -141.11 126.17 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG22 ' CG ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -79.6 129.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.408 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 10.3 mt -122.19 116.47 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.466 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -95.45 114.62 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.507 ' CD2' HD12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -117.3 162.29 18.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.419 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -123.37 149.34 45.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -45.36 -25.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.054 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.68 -47.21 27.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.91 -162.84 21.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -106.68 -177.6 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.49 -168.07 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -79.71 143.31 58.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.408 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.99 164.12 34.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t -96.05 167.62 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.35 120.55 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 78' ' ' LYS . 61.2 t -68.57 119.83 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.0 m -101.8 169.42 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -133.07 146.1 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 22.1 m-85 -147.81 169.97 18.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.2 m -138.7 147.32 42.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.9 p -78.7 -175.57 4.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.52 167.58 10.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.25 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 137.84 22.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -66.18 119.46 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.7 t -171.93 137.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -81.11 166.68 48.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 107.08 2.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.0 t 65.36 101.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m 50.82 91.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -169.28 94.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -90.91 126.63 36.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.78 127.07 2.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -127.4 142.79 51.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -93.75 157.08 16.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.963 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.15 154.6 6.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.19 41.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -81.19 -173.08 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.9 ttt -66.65 116.27 32.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.463 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 166.25 29.6 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.71 137.09 34.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.68 145.53 2.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.04 9.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.2 m -80.94 -174.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tp -138.31 92.5 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 p -57.99 -51.72 68.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 110.414 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 154.75 48.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.6 119.46 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.514 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -98.85 174.27 27.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.2 mt -80.72 -33.49 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.1 p -132.12 23.84 4.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.514 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 63.6 p-90 -158.44 155.11 27.99 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.2 mt -140.2 116.13 10.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.71 104.14 16.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.9 mt -98.98 164.68 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.16 117.59 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.7 p90 -122.34 163.79 19.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 107.979 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -127.84 175.05 8.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -75.63 161.31 76.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.81 0.84 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -104.51 132.48 50.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.26 69.6 1.27 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -73.36 155.3 89.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.9 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.811 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.06 167.14 11.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -61.43 -62.44 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -146.35 178.83 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.92 20.11 10.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -92.43 142.24 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.251 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.473 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 27.3 m -123.49 148.76 45.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.608 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 9.7 m-85 -121.86 126.76 49.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.6 mt -97.01 112.68 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.4 tp -76.67 111.52 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -97.33 163.88 12.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.461 ' HB3' ' CD ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -162.68 144.75 10.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -127.48 128.58 45.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 171.13 175.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.69 160.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p 45.89 -166.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.4 p -67.48 96.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.86 92.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -148.25 89.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.97 148.6 24.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.466 ' CG ' ' HE3' ' A' ' 80' ' ' LYS . 11.9 m-85 -89.73 157.34 18.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -127.89 151.04 75.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.51 38.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' CD ' ' HB3' ' A' ' 46' ' ' MET . 0.1 OUTLIER -129.03 -50.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.537 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 44.9 t80 -117.69 156.59 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.16 82.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.65 169.69 29.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.23 41.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.09 148.91 32.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.608 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 21.9 mt -99.45 33.03 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.77 140.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.537 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 90.2 t80 -151.69 156.55 40.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.6 m -119.67 103.88 9.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.7 t -68.57 145.85 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -134.59 174.82 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 63.86 66.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.447 HD13 ' CA ' ' A' ' 23' ' ' TRP . 41.1 mt -124.49 -175.86 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -119.76 147.56 44.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 146.15 55.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.99 74.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 99.0 m -150.22 163.4 38.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.75 154.43 31.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.409 ' CE1' ' HE3' ' A' ' 46' ' ' MET . 33.5 m-85 -153.69 145.29 23.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -100.77 129.65 46.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -129.32 149.31 51.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.466 ' HE3' ' CG ' ' A' ' 55' ' ' PHE . 6.4 ptpt -145.97 133.96 21.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.0 p -88.05 129.45 39.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.474 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 5.9 mt -120.01 116.26 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.463 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -91.6 117.55 29.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.473 ' CE1' ' HB2' ' A' ' 41' ' ' SER . 0.4 OUTLIER -128.14 163.02 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.77 164.29 19.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 m -54.14 -20.05 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.1 -47.23 13.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.04 -156.31 10.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.569 1.168 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 1.5 pttp -131.26 156.67 45.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.84 -166.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -76.13 150.06 82.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.01 159.6 41.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -91.15 175.33 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.96 128.15 26.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.3 t -72.77 122.44 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.7 m -101.35 162.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.32 141.95 49.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -144.06 170.78 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -132.33 146.81 52.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.2 p -92.56 177.19 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 3.7 m -95.76 162.77 23.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 160.97 39.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.73 126.24 54.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m -133.04 -58.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.76 167.18 20.89 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.563 1.823 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.59 -57.97 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.8 p -138.59 99.61 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -50.03 162.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.066 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -131.31 108.75 9.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.17 -143.25 11.95 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -120.06 101.17 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -138.25 77.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.39 -136.72 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 162.8 36.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -69.94 -175.53 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.8 ttt -74.98 120.02 79.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.467 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.09 167.39 27.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.08 137.13 34.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 146.4 1.63 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.07 11.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.404 HG21 ' CB ' ' A' ' 27' ' ' GLN . 2.2 m -84.13 -170.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tp -141.15 96.39 2.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.8 p -65.8 -55.5 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.05 143.95 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.82 115.11 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.91 161.12 22.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.6 mt -67.98 -34.67 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.0 p -131.7 22.67 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.51 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 64.8 p-90 -156.36 153.96 29.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.5 mt -140.3 121.36 14.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.2 100.91 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.8 mt -93.09 161.79 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.404 ' CB ' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -143.95 112.61 6.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -112.19 163.37 14.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.62 173.68 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 165.09 31.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.43 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 m -39.5 141.62 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.67 54.27 16.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -58.91 160.29 11.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -58.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.08 170.98 13.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -78.82 59.46 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -165.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.91 94.95 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -73.68 148.45 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -104.42 160.56 14.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 110.015 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.568 ' CE1' HD23 ' A' ' 64' ' ' LEU . 4.0 m-85 -139.96 123.9 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.454 HD11 ' CD2' ' A' ' 84' ' ' TYR . 20.4 mt -96.66 123.48 48.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.3 tp -87.02 110.52 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -94.24 162.19 13.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.493 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -162.09 140.23 8.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' CG ' ' HA ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -151.14 141.05 21.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -126.51 119.87 28.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 46.11 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.5 p -67.8 177.7 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.17 -62.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.015 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.73 55.53 0.42 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -158.8 -50.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.85 162.98 20.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CG ' ' HE3' ' A' ' 80' ' ' LYS . 10.3 m-85 -42.62 126.21 3.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -101.26 149.75 36.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.0 133.5 16.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.771 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -102.97 -61.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -108.75 151.75 25.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -146.0 84.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.89 -165.41 12.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -123.15 46.72 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -116.57 154.98 29.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.568 HD23 ' CE1' ' A' ' 42' ' ' TYR . 25.3 mt -99.21 29.05 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.34 147.64 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -156.85 158.78 37.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -117.37 105.28 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 t -70.54 148.11 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -136.18 172.06 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 59.26 78.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.438 HD13 ' CA ' ' A' ' 23' ' ' TRP . 21.8 mt -136.74 -176.97 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.68 144.92 48.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 142.44 58.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.2 p 42.08 78.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.5 m -147.51 128.01 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.99 124.81 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -132.43 144.41 50.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' CG ' ' HG3' ' A' ' 97' ' ' GLU . 11.0 mtpt -111.31 136.21 50.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 81.4 m-85 -133.7 146.86 51.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HE3' ' CG ' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -143.1 132.12 22.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.5 p -85.58 132.14 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 6.8 mt -122.93 112.97 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.467 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.24 119.46 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -126.83 161.34 28.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.402 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 7.8 t30 -124.0 152.7 42.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -45.54 -25.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.04 -47.33 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.91 176.11 45.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.99 157.64 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.41 -164.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -76.94 150.03 80.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.94 160.44 40.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t -92.1 177.67 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.991 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.71 131.08 48.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.03 119.56 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.505 HG22 ' CE2' ' A' ' 98' ' ' PHE . 34.9 m -102.38 167.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 tt0 -133.08 153.66 51.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.505 ' CE2' HG22 ' A' ' 96' ' ' VAL . 35.9 m-85 -153.63 173.18 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 100' ' ' THR . 6.9 m -138.7 150.14 45.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.411 ' N ' HG23 ' A' ' 99' ' ' THR . 21.7 p -93.14 175.42 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -88.76 167.36 18.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.291 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.76 19.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -141.76 120.07 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.0 t -86.09 70.92 10.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.73 144.39 11.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.11 15.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.1 p -56.78 149.35 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.65 -58.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.09 116.57 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 p -146.36 -60.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.99 -114.48 0.37 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.92 98.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 110.034 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -157.69 115.49 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.35 -136.75 2.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.53 16.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -73.11 -174.26 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 ttt -78.26 120.49 81.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.44 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.03 164.43 33.3 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.441 1.758 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.7 136.73 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.99 146.41 2.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.3 20.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -91.13 -169.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.527 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 3.3 tp -138.19 87.33 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 43.4 p -56.17 -61.05 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.72 131.28 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.28 118.65 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.11 -165.3 31.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 mt -90.51 -47.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.3 p -119.96 31.48 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.35 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 68.4 p-90 -163.35 158.72 21.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 108.01 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.1 mt -147.53 123.38 10.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.0 101.28 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.48 HD21 ' CE2' ' A' ' 98' ' ' PHE . 30.7 mt -94.93 165.94 12.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.417 ' HB2' ' CG2' ' A' ' 17' ' ' THR . 0.0 OUTLIER -146.37 125.89 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.414 ' NE1' ' HA ' ' A' ' 64' ' ' LEU . 49.1 p90 -132.56 165.44 24.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.13 161.56 34.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.9 163.76 0.47 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.17 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -98.41 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.05 86.98 0.45 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.428 HG23 ' CD1' ' A' ' 40' ' ' ILE . 1.6 p -67.23 157.4 85.32 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -39.66 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.71 -72.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -177.01 -58.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.38 170.86 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.41 19.52 13.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.428 ' CD1' HG23 ' A' ' 34' ' ' THR . 52.7 mt -90.87 145.15 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -117.86 158.18 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.617 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -135.5 142.62 45.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.9 mt -108.46 127.42 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.3 tp -87.55 108.9 19.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.37 149.6 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.41 ' HB3' ' CD ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -156.13 139.23 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.28 150.02 49.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.32 -55.5 10.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -148.4 178.77 8.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.23 132.84 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.437 ' O ' ' CE2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -178.54 -72.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.945 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 53' ' ' TYR . . . 85.22 43.53 6.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.05 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.437 ' CE2' ' O ' ' A' ' 51' ' ' SER . 85.5 m-85 -158.15 -45.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.73 0.31 61.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 7.8 m-85 -53.3 122.98 10.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.734 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -109.67 147.82 36.89 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 132.6 15.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' HE3' ' CG1' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -109.25 -54.17 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.438 ' OH ' ' N ' ' A' ' 63' ' ' ASP . 38.8 t80 -111.82 154.08 25.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -159.36 81.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.6 -171.42 17.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -94.66 -9.53 34.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 10.8 m-20 -71.59 158.55 36.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.617 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 1.3 mt -112.64 23.19 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.8 135.59 15.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -149.4 158.4 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.1 m -119.79 100.62 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.429 ' CG1' ' HE3' ' A' ' 58' ' ' LYS . 78.4 t -63.31 148.81 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -136.04 168.84 18.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 61.93 72.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.25 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.6 mt -128.7 -166.43 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -122.53 149.34 44.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.29 153.49 31.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 41.09 61.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.0 m -142.39 169.54 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.82 151.64 44.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -153.73 142.76 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' HB3' ' CG1' ' A' ' 95' ' ' VAL . 16.2 mtpt -94.96 148.69 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.4 ' CE2' ' HG3' ' A' ' 46' ' ' MET . 53.6 m-85 -142.32 144.99 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HE3' ' CD1' ' A' ' 55' ' ' PHE . 1.3 pttp -143.65 125.64 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.6 p -84.0 126.61 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.452 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 9.5 mt -118.09 117.92 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.44 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -95.83 118.94 33.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -127.2 162.44 26.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 88' ' ' GLY . 1.6 t-20 -123.6 151.56 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.5 m -48.76 -22.97 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -79.31 -47.45 15.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 85' ' ' ASN . . . -163.8 -164.93 20.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.422 ' CD ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -115.95 -170.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.78 -167.71 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -82.05 146.07 54.47 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.452 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.01 163.91 34.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.557 1.819 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.7 t -96.06 163.91 12.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.39 125.66 8.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 78' ' ' LYS . 91.3 t -69.42 124.8 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.46 163.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -125.82 144.01 50.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 14.6 m-85 -146.83 165.21 30.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -131.08 155.48 46.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.0 p -96.87 178.1 5.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.436 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.0 165.56 14.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 108.337 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.71 18.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -75.28 -56.73 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.1 t -89.29 -55.45 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.22 174.23 30.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 68.87 5.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.521 1.8 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.12 82.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.2 145.99 55.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.98 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.81 130.16 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.21 -54.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.74 -81.1 0.72 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.35 108.43 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.1 p -159.68 116.38 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.948 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.69 153.49 6.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.138 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.35 40.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -173.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.6 ttt -69.96 117.26 52.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.97 176.21 10.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.63 139.99 30.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.68 147.56 1.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.04 11.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -81.78 -176.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tp -140.9 95.42 2.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.4 p -66.97 -57.15 7.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.17 146.91 50.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.52 117.45 29.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -100.42 166.5 19.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.429 HG12 ' CB ' ' A' ' 101' ' ' CYS . 26.0 mt -70.31 -41.79 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.3 p -125.34 23.35 7.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.51 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 65.0 p-90 -155.68 154.13 31.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 108.014 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 mt -143.31 114.54 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.41 103.22 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.053 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.413 HD21 ' CE2' ' A' ' 98' ' ' PHE . 31.1 mt -99.85 164.36 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.96 115.9 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.487 ' CG ' HG23 ' A' ' 81' ' ' VAL . 44.1 p90 -115.64 164.4 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -125.5 164.06 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -83.83 159.97 59.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.96 10.56 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -88.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.44 86.02 0.19 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 p -78.18 157.36 78.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.557 0.798 . . . . 0.0 110.438 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -163.1 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.36 173.63 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.39 112.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.28 161.99 21.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.32 111.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.9 mt -115.86 145.43 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.34 143.85 43.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.58 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 2.9 m-85 -125.69 136.53 53.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mt -101.27 112.97 36.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.5 tp -82.14 117.39 22.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.76 161.79 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.3 ttp -162.43 123.67 2.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.49 128.9 56.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.54 -55.86 19.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -165.67 -60.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.42 148.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.5 m -156.64 -53.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.56 -63.95 0.24 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -49.63 -47.47 49.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.53 -153.41 17.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.144 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -64.07 157.8 24.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 0.748 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -132.95 147.16 64.31 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.16 28.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -48.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.588 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 52.6 t80 -110.33 158.95 17.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.62 77.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.0 171.12 24.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -94.93 46.63 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.32 148.08 45.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.58 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 27.4 mt -95.84 29.13 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.02 141.12 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 72.4 t80 -149.41 153.35 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -112.6 96.91 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.0 t -58.28 147.02 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -134.57 178.83 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.82 85.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.1 mt -140.57 -164.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -125.49 151.65 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -73.61 137.4 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.354 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.84 79.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.29 142.39 26.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.01 128.89 34.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.498 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 6.3 m-85 -138.23 152.64 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.406 ' CD ' ' CG1' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -110.99 151.49 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 77' ' ' TYR . 87.8 m-85 -150.1 137.34 19.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -139.27 126.08 20.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.487 HG23 ' CG ' ' A' ' 28' ' ' TRP . 1.4 p -78.84 127.74 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 11.1 mt -120.93 109.39 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.417 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.42 125.5 35.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.462 ' HB2' ' CB ' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -135.94 164.51 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.16 155.07 37.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -20.23 4.4 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -85.43 -47.25 10.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.3 172.34 39.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 2.6 ptmm? -110.74 162.87 14.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.47 -166.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -82.39 155.24 69.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.458 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.98 163.71 34.82 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 t -94.4 177.26 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -55.78 125.7 22.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.406 ' CG1' ' CD ' ' A' ' 78' ' ' LYS . 75.7 t -70.83 117.77 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.5 m -101.06 171.98 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -132.9 146.65 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 26' ' ' LEU . 13.0 m-85 -144.71 176.5 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -144.82 147.0 32.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.5 p -88.74 175.09 7.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.429 ' CB ' HG12 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -67.36 167.25 15.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 108.315 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' SER . 18.2 Cg_endo -75.05 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.5 t0 70.34 -63.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' PRO . 5.1 t 75.25 125.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -57.99 -179.15 0.86 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 82.03 2.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.4 t -141.35 -55.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.8 80.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -166.72 -62.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -125.49 111.99 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.11 137.67 14.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -132.78 -49.02 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.8 133.14 54.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.33 -121.2 4.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 132.96 16.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -176.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.5 ttt -57.94 116.59 14.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.4 Cg_endo -75.02 174.48 12.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.57 137.25 32.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.38 147.62 3.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.98 11.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.433 1.754 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.3 m -86.74 -174.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 tp -137.39 103.42 5.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p -74.23 -56.85 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.402 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.42 129.99 38.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.47 116.91 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -96.83 173.29 29.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.43 ' CG2' ' HB2' ' A' ' 103' ' ' ASP . 79.0 mt -75.43 -49.47 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -118.37 24.45 10.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 68.0 p-90 -156.97 154.46 29.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 mt -139.15 116.36 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.04 100.01 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.493 HD23 ' CE2' ' A' ' 98' ' ' PHE . 57.5 mt -93.66 166.23 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.54 114.06 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.496 ' CG ' HG23 ' A' ' 81' ' ' VAL . 39.1 p90 -120.26 160.67 22.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -126.15 175.75 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 159.13 64.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -92.12 143.33 26.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' SER . . . 37.65 84.45 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.452 ' CG2' HD11 ' A' ' 40' ' ' ILE . 3.6 p -72.56 154.31 91.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' SER . 18.2 Cg_endo -75.06 56.6 4.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER 39.2 85.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -149.49 95.57 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.07 99.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.8 118.28 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.452 HD11 ' CG2' ' A' ' 34' ' ' THR . 47.5 mt -107.68 145.02 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.518 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 1.0 OUTLIER -102.89 138.96 39.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -126.03 131.99 52.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.483 HD13 ' CD1' ' A' ' 84' ' ' TYR . 8.1 mt -100.51 122.07 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.434 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 18.4 tp -87.38 110.48 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -98.36 162.76 13.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.556 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.84 137.12 6.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HB2' ' CD2' ' A' ' 55' ' ' PHE . 1.7 tm-20 -135.55 135.91 40.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -167.12 -73.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.518 ' O ' ' CG2' ' A' ' 50' ' ' THR . 8.8 tp10 -134.77 81.39 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 49' ' ' GLU . 3.6 p -159.86 72.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.47 170.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.03 49.3 1.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -105.21 24.16 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.03 -162.16 52.87 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.512 ' CG ' ' HE3' ' A' ' 80' ' ' LYS . 14.1 m-85 -72.13 138.66 47.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -114.79 149.25 42.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.493 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.03 140.54 25.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -46.7 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.623 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.1 t80 -115.19 162.77 16.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.67 90.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.04 -173.64 21.2 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -114.23 36.8 3.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -111.84 152.37 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -95.18 31.43 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.93 147.14 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.623 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 53.4 t80 -152.56 158.66 42.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -115.21 98.82 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.93 145.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -135.49 179.24 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 60.99 70.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.9 mt -134.45 -176.71 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.8 155.43 41.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.9 150.48 45.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.18 75.14 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.9 m -149.04 164.49 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 147.51 44.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -149.68 151.0 32.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -106.77 131.46 53.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 70.7 m-85 -132.5 144.34 50.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HE3' ' CG ' ' A' ' 55' ' ' PHE . 2.5 pttt -139.26 129.2 24.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.496 HG23 ' CG ' ' A' ' 28' ' ' TRP . 1.4 p -80.39 127.19 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 10.0 mt -118.36 111.82 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.456 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.31 122.86 33.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.518 ' CE1' ' HB2' ' A' ' 41' ' ' SER . 0.5 OUTLIER -136.6 164.14 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -123.64 163.08 21.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -57.08 -17.16 9.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.09 -47.22 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.26 -168.33 28.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -126.22 158.87 34.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.7 -168.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -74.86 151.99 86.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.1 Cg_endo -75.01 163.55 35.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -97.86 162.41 13.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.47 129.36 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.7 t -75.79 118.54 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.5 m -100.76 168.35 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -129.5 153.52 47.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.493 ' CE2' HD23 ' A' ' 26' ' ' LEU . 20.1 m-85 -148.35 174.67 11.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 100' ' ' THR . 6.3 m -138.36 153.98 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.4 ' N ' HG23 ' A' ' 99' ' ' THR . 1.6 p -97.46 -172.72 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.63 167.26 10.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 108.278 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 146.45 32.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.43 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 12.1 t0 -135.13 134.18 39.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 t -159.41 109.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.946 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.64 159.53 15.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -40.59 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.0 p -101.9 123.84 46.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t -127.58 149.15 50.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -119.14 124.16 46.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 109.998 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -128.77 118.63 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.84 106.57 0.19 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -176.39 109.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 110.034 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -166.14 135.53 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.07 -136.69 0.2 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -179.17 4.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -73.87 -175.11 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 7.2 ttt -72.12 122.63 87.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.01 -179.71 5.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.96 141.63 29.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.531 ' N ' ' HG ' ' A' ' 93' ' ' SER . 0.0 OUTLIER -47.13 146.12 3.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.72 10.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 m -80.93 179.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 4.5 tp -135.45 86.18 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.5 p -56.42 -61.27 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.442 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.77 138.35 52.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.72 115.7 28.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.511 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.05 -172.9 37.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 mt -87.18 -44.13 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.4 p -121.88 17.74 10.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.511 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.8 p-90 -148.95 156.74 42.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 107.956 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.9 mt -146.45 115.07 6.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.98 100.17 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.466 HD22 ' CE2' ' A' ' 98' ' ' PHE . 49.1 mt -95.65 162.99 13.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.16 113.14 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CZ3' HD11 ' A' ' 44' ' ' LEU . 33.5 p90 -113.58 160.2 18.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -122.85 166.22 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.22 162.02 35.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.88 3.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -97.37 173.56 7.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 37.69 45.53 1.48 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 p -67.07 161.59 61.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.43 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.69 -72.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 178.85 53.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 39' ' ' GLY . 2.2 pt-20 -84.9 67.1 10.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 38' ' ' GLU . . . 39.74 93.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.5 mt -108.9 133.11 55.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 4.6 m -126.25 151.4 47.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.601 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 10.5 m-85 -124.98 121.78 35.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.4 mt -98.45 120.31 47.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.511 HD11 ' CZ3' ' A' ' 28' ' ' TRP . 21.1 tp -80.52 110.0 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -93.44 164.5 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.455 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 1.5 tmm? -159.82 143.63 14.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -133.41 124.44 27.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -108.56 158.24 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -68.98 171.36 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.1 p 39.35 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.46 -55.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.039 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.32 73.4 0.49 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -154.33 -50.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.66 -168.17 22.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.52 ' CZ ' ' HE2' ' A' ' 80' ' ' LYS . 13.0 m-85 -81.47 119.87 24.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -100.2 148.02 34.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 141.27 26.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -117.33 -48.91 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.371 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.526 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 28.4 t80 -118.44 160.33 21.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -161.59 86.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.11 170.78 29.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -96.94 44.13 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.55 146.75 43.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.601 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 17.9 mt -96.58 34.68 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.97 134.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 60.1 t80 -145.9 156.22 43.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.9 m -114.6 99.04 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.466 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 61.3 t -67.16 121.9 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -112.2 174.48 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 65.09 75.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.8 mt -134.56 178.94 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.37 156.56 28.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.46 137.67 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.3 75.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.1 m -145.03 137.27 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.373 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 146.46 29.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 10.4 m-85 -152.36 147.55 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -110.41 134.55 52.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 77' ' ' TYR . 92.4 m-85 -137.09 139.23 41.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.52 ' HE2' ' CZ ' ' A' ' 55' ' ' PHE . 4.9 ptpt -139.02 124.98 19.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.3 p -78.46 133.35 30.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.2 mt -126.73 114.92 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -93.36 122.32 35.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 0.2 OUTLIER -126.44 161.54 27.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 1.5 t30 -123.79 151.8 42.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 m -49.28 -22.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -78.9 -42.4 27.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.19 -165.68 29.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.9 175.6 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -131.17 -165.22 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -86.17 149.49 50.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.45 27.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.531 ' HG ' ' N ' ' A' ' 13' ' ' SER . 6.2 t -103.9 159.2 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.74 120.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.09 120.65 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.8 m -102.46 169.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -132.59 144.9 50.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.334 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 15.2 m-85 -145.82 154.74 42.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 m -127.13 146.51 50.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.6 p -91.53 175.25 6.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.1 m -95.05 166.51 14.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.54 29.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -87.58 -55.79 3.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.5 t -147.78 167.05 25.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 133.16 97.97 0.65 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 146.78 33.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.2 p -97.86 94.17 6.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 t 61.37 -86.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -136.54 144.53 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.0 111.29 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.96 76.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -72.64 117.75 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -160.45 99.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.6 -155.86 24.35 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 179.76 5.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.553 1.818 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -89.26 -174.21 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.7 ttt -66.89 120.89 75.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.429 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.04 -175.81 2.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.83 136.41 40.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.89 144.84 1.78 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.72 10.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.4 m -82.22 176.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 98' ' ' PHE . 8.7 tp -126.08 81.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.9 p -53.76 -54.42 38.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.67 140.51 38.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.9 117.52 32.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.506 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.37 178.73 31.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.1 mt -79.64 -47.95 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -120.54 29.92 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.506 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.3 p-90 -163.23 156.45 19.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.6 mt -143.92 114.24 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.8 103.67 16.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.6 mt -100.95 163.41 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.85 124.38 16.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.3 p90 -130.31 160.28 34.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 m -126.74 171.45 11.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 160.5 38.06 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 83.92 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER 49.88 -167.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' SER . . . -35.07 -65.95 0.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.423 ' OG1' ' HD2' ' A' ' 35' ' ' PRO . 0.5 OUTLIER 55.53 163.67 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.423 ' HD2' ' OG1' ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.01 -50.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -80.78 108.21 14.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.94 -63.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.47 165.02 18.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.344 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.89 -19.35 47.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 36' ' ' SER . 64.7 mt -61.23 136.37 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m -103.76 147.72 26.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 13.5 m-85 -130.51 129.0 42.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.553 HD11 ' CD2' ' A' ' 84' ' ' TYR . 16.7 mt -97.91 117.83 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.5 tp -82.5 108.99 16.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.463 ' OE1' ' CD1' ' A' ' 82' ' ' ILE . 5.1 mt-10 -96.45 165.02 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.423 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -162.24 136.76 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -129.43 121.05 26.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -177.68 -58.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.81 -65.01 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.2 p -43.65 159.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 52' ' ' GLY . 52.3 p -40.0 -68.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' OG ' ' A' ' 51' ' ' SER . . . 150.27 50.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -108.7 -50.35 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.794 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 47' ' ' GLU . . . -149.88 -179.09 25.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 47' ' ' GLU . 9.0 m-85 -93.2 163.28 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -133.0 146.34 60.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.38 29.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.26 -46.07 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.607 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 40.6 t80 -116.37 159.44 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -159.29 87.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.95 -177.61 24.98 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -111.94 44.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.72 149.56 40.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 31.0 mt -94.22 30.93 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.22 141.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.607 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 79.5 t80 -147.79 158.84 44.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.1 m -117.49 96.43 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.62 146.89 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.79 176.53 8.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 57.08 71.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.461 HD11 ' CA ' ' A' ' 23' ' ' TRP . 41.7 mt -129.53 -171.99 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -123.12 148.86 45.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 147.29 49.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.76 77.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 72.9 m -150.22 167.2 27.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.1 129.77 51.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -132.88 144.55 50.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -96.82 132.36 42.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 46' ' ' MET . 54.1 m-85 -131.42 145.98 52.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.521 ' HE3' ' CG ' ' A' ' 55' ' ' PHE . 7.3 ptpt -141.69 135.56 29.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.7 p -88.29 127.57 41.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.464 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 7.5 mt -119.1 115.93 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.429 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -91.95 128.74 37.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.553 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -137.77 161.23 37.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 14.9 t30 -123.89 152.02 42.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -46.25 -25.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.72 -47.32 17.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.64 173.78 44.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.95 161.08 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.9 -166.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -76.15 154.18 84.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.464 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.99 163.91 34.4 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.97 168.39 10.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.07 130.55 10.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.7 t -79.0 123.52 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.425 HG21 ' CE2' ' A' ' 98' ' ' PHE . 34.7 m -104.91 168.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 7.0 tt0 -132.27 154.11 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.474 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 30.0 m-85 -152.82 169.73 22.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 100' ' ' THR . 4.1 m -132.22 146.15 51.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.41 ' N ' HG22 ' A' ' 99' ' ' THR . 40.1 p -91.72 -178.31 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.65 169.8 8.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.7 14.06 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -155.27 147.19 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.8 p -152.26 -57.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.87 96.1 0.57 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.33 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 p -136.23 141.44 43.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.044 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.89 115.52 30.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.96 86.14 4.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.3 129.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.25 -129.32 2.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -120.0 99.43 6.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -93.9 101.85 13.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.86 -134.72 7.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 126.31 9.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 0.0 111.037 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.3 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.3 ttt -58.33 116.42 14.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.07 163.89 34.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.12 136.88 37.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.91 146.59 5.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 127.56 10.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -84.68 -175.04 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 3.0 tp -138.51 89.53 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 30.9 p -62.07 -60.25 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.3 OUTLIER -125.98 129.25 48.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.259 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.57 114.44 28.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.516 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -94.22 172.42 31.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.2 mt -75.58 -49.07 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -115.87 28.55 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.516 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.1 p-90 -165.77 155.6 12.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.0 mt -141.14 119.85 12.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.83 100.88 13.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.9 mt -93.27 160.8 14.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.6 115.59 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.0 p90 -122.55 166.84 14.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 107.984 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -128.58 179.54 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.6 160.95 60.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 m -97.79 142.74 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.57 69.7 1.08 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.7 p -73.07 157.64 88.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.408 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -40.02 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.1 p -119.15 162.93 17.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.6 -58.16 9.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.51 172.48 14.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.31 19.71 7.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.3 mt -96.13 139.48 19.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.759 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.598 ' OG ' ' CE2' ' A' ' 84' ' ' TYR . 59.2 p -119.55 151.49 38.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.489 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.9 m-85 -124.18 130.74 53.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.493 HD12 ' CD2' ' A' ' 84' ' ' TYR . 13.1 mt -96.59 116.38 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.5 tp -81.78 111.07 17.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -96.22 165.49 12.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.487 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.76 150.78 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -114.99 115.88 27.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -166.51 109.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -151.22 177.59 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.258 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.91 -37.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.388 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.69 -50.9 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.72 94.69 1.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -154.85 89.66 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.786 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.2 158.38 15.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.495 ' CD2' ' HE3' ' A' ' 80' ' ' LYS . 16.0 m-85 -111.44 150.55 29.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -130.32 152.06 79.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.6 28.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 -46.43 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 52.7 t80 -118.6 163.86 16.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -166.47 83.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.3 175.6 23.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.25 39.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.98 160.36 19.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.459 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 9.2 mt -107.87 24.34 13.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.17 140.75 9.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.599 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 87.9 t80 -151.19 155.49 38.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 m -115.65 104.36 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 93.0 t -68.75 146.1 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.5 176.95 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 59.92 66.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.428 HD13 ' CA ' ' A' ' 23' ' ' TRP . 39.1 mt -125.78 -174.73 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -125.79 144.02 50.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 149.9 47.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.46 77.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.9 m -150.19 171.57 16.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.379 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.93 121.95 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.452 ' CD1' ' HE3' ' A' ' 46' ' ' MET . 13.9 m-85 -135.55 155.46 50.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 79' ' ' PHE . 5.2 mtmt -114.07 171.08 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' A' ' 78' ' ' LYS . 96.5 m-85 -163.18 133.68 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.495 ' HE3' ' CD2' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -134.01 125.29 27.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.1 p -80.34 128.3 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 7.1 mt -119.46 112.83 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -93.28 125.08 37.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.598 ' CE2' ' OG ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -132.89 161.55 33.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 88' ' ' GLY . 3.4 t30 -123.83 151.91 42.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -43.33 -26.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 85' ' ' ASN . 44.4 mt-10 -73.93 -47.53 37.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' ASN . . . -168.36 -157.83 11.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.16 149.28 52.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.75 -172.39 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -73.18 153.83 90.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -74.98 162.29 37.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.7 t -91.76 172.95 8.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.35 128.18 30.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.47 HG12 ' CD ' ' A' ' 78' ' ' LYS . 77.8 t -70.7 118.32 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.5 m -100.56 160.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.565 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 mp0 -117.0 155.26 29.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 16.2 m-85 -156.08 166.56 33.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 m -140.48 147.9 40.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.4 p -86.61 178.24 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.81 166.98 13.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 127.75 10.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.58 102.22 13.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.8 t -137.18 100.59 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 48.67 -162.6 0.47 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 158.63 42.25 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 111.053 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -41.98 122.87 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 t 56.77 103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.3 p 45.03 84.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p 47.77 93.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.42 -175.4 13.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p 46.18 88.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -135.82 143.09 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.84 -121.04 4.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.103 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 134.25 17.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.801 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -59.87 -175.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 ttt -68.27 115.79 32.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 165.86 30.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.79 138.23 35.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.93 147.48 0.89 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.23 37.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.51 ' CG2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -110.76 164.89 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' A' ' 15' ' ' VAL . 4.5 tp -116.98 91.54 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -59.42 -58.14 9.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.46 130.5 44.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.68 120.33 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -102.91 169.02 18.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.0 mt -73.0 -54.92 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.598 0.822 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -111.1 24.81 12.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.408 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 67.7 p-90 -159.44 154.11 24.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 107.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.2 mt -137.78 115.48 11.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.99 100.7 12.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.471 HD12 ' CD2' ' A' ' 44' ' ' LEU . 15.4 mt -88.67 173.86 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.443 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 1.3 tt0 -164.83 125.97 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -133.95 164.01 28.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 m -127.77 171.03 12.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.43 158.44 48.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 167.75 26.32 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -73.19 151.07 41.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' SER . . . 37.52 87.57 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -84.05 156.8 63.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -170.22 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.84 77.58 3.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -153.61 100.11 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.01 98.66 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.3 111.06 3.01 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.547 1.155 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -102.1 148.88 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.73 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -115.82 143.13 45.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 5.6 m-85 -131.75 135.08 46.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.4 mt -97.19 118.43 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 26' ' ' LEU . 26.9 tp -86.55 100.01 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -92.65 160.33 15.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 9.9 ttp -160.45 134.16 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 2.6 mm-40 -149.03 142.98 25.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -91.09 115.55 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 43.48 -162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.85 143.55 57.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -162.48 132.06 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.76 95.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -46.25 -56.32 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.965 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 103.77 162.82 25.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.148 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.495 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 9.2 m-85 -52.45 126.43 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -104.93 147.6 34.74 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.56 19.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.23 -39.61 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.56 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 57.9 t80 -120.12 160.22 23.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -166.69 84.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.91 -177.11 22.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -107.93 44.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -118.41 153.86 33.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 mt -101.75 30.29 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.22 143.78 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 92.2 t80 -156.31 152.7 27.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.4 m -114.24 110.23 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.1 t -76.86 142.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.223 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -128.75 176.3 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 62.89 68.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.445 HD12 ' CA ' ' A' ' 23' ' ' TRP . 68.1 mt -127.39 -174.44 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -128.97 142.04 51.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.249 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 147.24 30.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.424 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.3 OUTLIER 39.5 78.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.027 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.7 m -147.88 147.06 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.69 138.3 39.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 12.0 m-85 -145.32 146.33 31.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' CG ' ' HG2' ' A' ' 97' ' ' GLU . 23.6 mtpt -105.32 137.4 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 91.5 m-85 -132.5 145.1 50.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.495 ' HE2' ' CD2' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -137.63 130.84 30.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -90.89 124.32 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.475 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 7.1 mt -118.54 120.68 64.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.432 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -96.3 121.11 37.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -129.8 162.5 28.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.408 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 53.2 m-20 -123.51 149.85 44.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.8 t -46.82 -24.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -80.62 -47.42 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.84 170.1 41.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 3.7 ptmm? -103.68 166.7 10.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.51 -163.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -82.5 152.73 67.54 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.475 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -75.01 162.47 37.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 t -100.15 175.41 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.21 128.85 35.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 63.1 t -77.39 130.46 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -113.9 164.11 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -125.63 157.18 37.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 25.9 m-85 -154.04 158.46 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 m -121.71 152.84 38.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 74' ' ' SER . 8.9 p -86.09 175.8 8.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -83.02 168.17 24.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 108.304 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.98 26.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -126.83 -63.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.58 119.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.06 119.05 6.38 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 162.47 37.04 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.33 106.42 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 t -167.01 79.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -76.67 137.77 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -125.79 93.7 3.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.36 143.26 5.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 p -155.0 154.56 32.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 p -106.29 162.47 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 156.91 7.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 143.19 28.69 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -169.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 ttp -77.12 122.1 85.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.99 170.73 19.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.93 136.88 33.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.18 144.46 4.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.41 9.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.1 m -82.55 -172.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 tp -134.48 88.25 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.0 p -61.23 -59.66 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.5 135.85 52.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.67 118.07 32.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.85 -166.55 30.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 73' ' ' ARG . 8.0 mt -93.6 -43.71 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -121.98 21.14 10.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.484 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 68.2 p-90 -153.55 155.41 36.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.7 mt -140.64 119.49 12.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.6 100.61 12.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.77 154.35 18.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -137.72 131.3 31.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.488 ' CG ' HG21 ' A' ' 81' ' ' VAL . 42.9 p90 -131.88 163.9 27.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -125.44 178.34 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HE2' ' CG2' ' A' ' 34' ' ' THR . 2.1 ptmt -81.23 166.92 35.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.5 Cg_endo -74.98 56.07 4.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t 52.62 99.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.937 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 38.09 91.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.473 ' HB ' ' CD1' ' A' ' 40' ' ' ILE . 41.6 p -54.5 160.67 2.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -168.59 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.462 1.769 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 m -51.5 147.38 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.1 t70 67.7 114.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.9 -172.88 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.24 24.26 9.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.473 ' CD1' ' HB ' ' A' ' 34' ' ' THR . 32.0 mt -67.94 144.9 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.494 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 50.0 m -117.2 159.04 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.551 ' CE1' HD21 ' A' ' 64' ' ' LEU . 5.1 m-85 -130.48 131.82 45.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.2 mt -100.4 134.83 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.7 tp -104.57 108.11 19.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -97.61 164.35 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.414 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -155.66 135.39 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -140.1 164.5 29.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.93 -166.27 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.41 -174.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.75 128.28 23.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.4 p -152.28 -51.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 53' ' ' TYR . . . 106.59 81.49 1.42 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 27.8 m-85 -169.97 -57.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 106.17 166.2 23.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.531 ' CD1' ' HB2' ' A' ' 47' ' ' GLU . 5.2 m-85 -56.84 127.63 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -112.86 149.5 41.35 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.66 15.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.774 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.69 -34.75 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.605 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 46.3 t80 -124.03 163.77 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -166.25 82.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.06 -175.98 22.72 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -111.79 42.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.65 154.91 24.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.551 HD21 ' CE1' ' A' ' 42' ' ' TYR . 16.0 mt -101.83 29.41 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.28 143.35 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.605 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 91.3 t80 -152.97 159.0 42.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -122.55 106.04 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.8 t -69.91 151.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -142.26 170.07 16.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 65.66 60.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -120.2 -168.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.73 150.49 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.447 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -73.33 140.12 46.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.45 77.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.8 m -149.17 156.77 42.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -109.71 115.73 30.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.414 ' CE1' ' HE2' ' A' ' 46' ' ' MET . 12.6 m-85 -123.48 147.69 46.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -99.69 160.5 14.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 78' ' ' LYS . 97.8 m-85 -158.79 141.95 14.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.431 ' CE ' ' CD2' ' A' ' 55' ' ' PHE . 8.3 ptpt -146.4 127.52 14.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.1 p -83.07 130.12 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.466 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 12.8 mt -120.78 114.35 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.18 117.25 28.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.494 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 0.3 OUTLIER -126.43 162.5 25.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 88' ' ' GLY . 1.8 m-20 -123.7 150.71 43.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t -42.19 -27.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 85' ' ' ASN . 1.5 mt-10 -73.67 -47.85 36.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.88 -155.72 9.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.51 157.11 45.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.55 -164.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -77.94 151.92 79.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.466 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.6 Cg_endo -74.96 165.4 31.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.769 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.7 t -92.41 175.81 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.57 116.12 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.422 ' CG1' ' CD ' ' A' ' 78' ' ' LYS . 88.1 t -57.08 131.55 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.6 m -112.38 168.27 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -134.03 136.14 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -139.67 171.44 14.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -138.71 148.76 44.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.1 p -80.51 179.66 7.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.14 168.24 9.49 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.9 8.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -51.84 -53.79 36.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -125.58 154.24 42.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -134.29 -81.62 0.16 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 t 61.5 91.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.23 97.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.18 157.86 31.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.753 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t -108.31 89.84 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.64 -112.43 0.53 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.16 151.33 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.786 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -178.53 101.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.86 155.03 6.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.55 39.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -66.75 -178.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.4 ttt -62.67 119.6 52.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 -170.53 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.1 138.07 39.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.25 144.29 4.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.29 18.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.454 HG21 ' CB ' ' A' ' 27' ' ' GLN . 2.3 m -90.07 -177.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 3.6 tp -136.37 86.63 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 46.8 p -55.85 -57.05 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.89 137.31 44.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.07 115.16 28.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -94.28 -173.33 38.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.3 mt -87.49 -43.54 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 p -121.41 24.01 10.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.501 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 60.4 p-90 -159.23 155.87 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -141.74 115.73 9.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.81 101.9 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 mt -94.69 162.61 13.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.465 ' HB2' ' CG2' ' A' ' 17' ' ' THR . 0.0 OUTLIER -150.48 111.28 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CZ3' HD11 ' A' ' 44' ' ' LEU . 39.4 p90 -115.01 164.0 14.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 107.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -124.7 165.53 17.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.29 164.51 18.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 162.17 37.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.553 1.818 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.77 125.28 25.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 45.0 84.13 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.441 HG22 ' CD1' ' A' ' 40' ' ' ILE . 1.9 p -60.46 157.69 34.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.411 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 36' ' ' SER . 18.2 Cg_endo -75.02 55.87 4.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER 39.28 85.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 166.6 103.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.4 163.05 21.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.06 19.24 22.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.441 ' CD1' HG22 ' A' ' 34' ' ' THR . 68.3 mt -60.64 151.05 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.4 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 15.1 m -117.19 161.69 19.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.538 ' CE1' HD22 ' A' ' 64' ' ' LEU . 4.0 m-85 -142.08 127.77 19.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.422 HD13 ' CD2' ' A' ' 84' ' ' TYR . 23.9 mt -99.74 121.1 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.485 HD11 ' CZ3' ' A' ' 28' ' ' TRP . 28.9 tp -88.75 114.7 25.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 -108.02 156.83 18.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 21.1 ttp -152.12 127.91 10.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -124.72 138.62 54.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -179.24 -39.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -176.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 t -96.16 55.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.4 p -84.8 149.4 25.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.33 51.36 0.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -151.96 -45.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 0.726 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.49 -135.18 7.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.599 ' CD2' ' CE ' ' A' ' 80' ' ' LYS . 5.3 m-85 -82.09 133.49 35.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -112.54 147.44 37.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 141.02 26.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.35 -43.59 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.6 t80 -115.36 154.11 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.35 84.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.04 171.89 30.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.55 36.3 1.39 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 0.734 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.22 157.2 17.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' A' ' 42' ' ' TYR . 13.5 mt -104.09 27.48 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -175.36 141.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 48.4 t80 -145.23 153.46 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 m -104.84 94.91 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.04 142.72 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -134.76 167.42 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 69.89 64.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.436 HD13 ' CA ' ' A' ' 23' ' ' TRP . 43.2 mt -125.45 -175.67 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -119.05 148.15 43.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.6 ptt-85 -70.09 147.21 50.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.0 p 39.63 67.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -143.83 165.02 28.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.421 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' N ' ' CG2' ' A' ' 75' ' ' THR . 0.2 OUTLIER -116.98 145.47 43.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -147.19 146.76 29.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -98.94 142.17 30.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 92.3 m-85 -140.45 149.37 42.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.599 ' CE ' ' CD2' ' A' ' 55' ' ' PHE . 5.4 ptpt -146.48 130.4 17.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.444 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.1 p -89.85 130.29 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 8.5 mt -120.64 118.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.434 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -92.09 116.19 28.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.494 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -123.39 162.28 23.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.9 OUTLIER -123.71 150.61 44.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.4 t -42.7 -26.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 85' ' ' ASN . 2.6 mt-10 -74.09 -47.64 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.78 -155.8 9.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -130.45 153.48 48.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -162.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -81.26 152.79 71.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.462 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.99 159.31 41.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.68 -179.71 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.068 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.73 129.21 40.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.7 t -78.37 122.05 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.408 HG21 ' CE2' ' A' ' 98' ' ' PHE . 35.5 m -101.16 162.78 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 144.49 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 19.5 m-85 -145.2 170.72 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -134.35 146.73 50.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.358 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 p -78.33 -179.76 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.92 168.54 12.84 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.53 40.88 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.8 160.23 31.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.5 t 64.01 141.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 84.32 90.28 0.79 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 141.37 26.51 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.1 m 61.94 102.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -144.07 124.54 13.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.38 -74.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.777 . . . . 0.0 110.043 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.81 -61.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.43 75.86 0.15 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 m -107.49 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.17 141.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.027 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.35 -123.16 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.87 31.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.76 172.17 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.4 ttt -58.18 115.57 11.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.06 164.0 34.12 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.89 135.92 35.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.34 147.18 1.03 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.35 31.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.523 ' CG2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -108.98 165.14 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.523 ' N ' ' CG2' ' A' ' 15' ' ' VAL . 5.9 tp -114.06 114.53 26.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.0 p -80.92 -48.38 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.69 129.11 22.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.67 117.84 35.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -97.73 177.33 31.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.6 mt -80.26 -43.77 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.8 p -123.46 27.6 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.436 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 64.7 p-90 -161.14 153.1 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 71' ' ' LEU . 41.3 mt -138.42 112.36 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.13 101.85 13.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.6 mt -88.88 175.02 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' VAL . 1.4 tt0 -158.47 123.88 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.1 p90 -133.75 161.2 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 108.035 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -132.2 166.14 22.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 160.1 75.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 155.58 42.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.63 128.22 35.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.6 102.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 p -82.71 156.07 68.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.1 4.15 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.516 1.798 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 71.8 m 41.06 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 36' ' ' SER . 0.6 OUTLIER 159.31 102.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -88.58 93.07 9.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.265 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.99 36.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.2 mt -86.12 147.85 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.458 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -114.7 170.57 8.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -145.6 125.15 13.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.49 HD13 ' CD2' ' A' ' 84' ' ' TYR . 13.7 mt -100.73 124.99 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 tp -92.47 117.49 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -104.46 164.37 11.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -161.14 135.36 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -119.16 140.96 49.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.07 162.23 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.97 3.01 33.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.2 p -117.15 120.2 37.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.01 142.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.68 113.37 4.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -160.21 85.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.25 -178.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.549 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 23.8 m-85 -67.19 130.47 43.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -124.1 148.55 57.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 126.07 9.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -34.76 7.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 72.6 t80 -124.22 152.51 42.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.58 83.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.76 -171.5 18.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -110.42 49.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.09 154.99 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -105.61 28.57 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.9 143.2 3.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 87.8 t80 -151.09 158.99 44.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 m -120.95 100.01 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.351 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.77 145.65 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -138.11 163.48 31.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 72.42 62.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 24' ' ' LEU . 51.2 mt -120.06 -171.3 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -126.61 150.81 48.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.434 ' CB ' ' HB3' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -70.9 148.89 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 81.1 p 39.58 71.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.3 m -147.94 160.4 42.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.16 152.29 29.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -154.68 141.12 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -95.71 144.35 26.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -139.56 146.06 39.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.549 ' HE3' ' CD1' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -146.99 124.76 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 p -80.17 133.55 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.47 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 13.0 mt -123.38 113.01 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.67 122.79 33.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -131.67 159.94 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 5.0 t-20 -123.94 153.45 41.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -46.92 -24.78 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -76.44 -47.4 23.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.33 -174.67 37.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 153.2 32.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.53 -171.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.936 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -75.51 154.9 85.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.97 160.04 40.73 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -92.62 167.3 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -45.8 128.3 8.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.235 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.98 130.83 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -116.54 165.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -130.15 157.21 43.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -154.24 158.95 41.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -120.88 148.9 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.5 p -92.89 -175.99 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.1 m -95.59 166.66 14.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.253 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.43 35.15 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 73' ' ' ARG . 5.1 t0 -115.41 145.2 42.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.86 75.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.03 -85.68 0.68 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.26 42.89 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.9 p -141.32 93.22 2.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.83 108.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t 58.63 94.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.784 . . . . 0.0 109.972 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.26 153.39 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.53 -175.8 44.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.125 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.492 ' CB ' ' OE1' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -141.77 145.12 34.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.756 . . . . 0.0 109.998 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.41 120.34 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.7 -157.04 24.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.098 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.74 19.5 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.808 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.65 170.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.7 ttt -57.27 116.92 15.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.04 169.85 21.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.86 136.48 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.57 145.93 7.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 126.45 9.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.74 -170.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 tp -138.62 89.85 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.8 p -60.63 -60.18 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.55 129.17 40.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.49 116.41 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.18 -175.65 37.67 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 mt -86.31 -43.86 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 p -121.87 23.32 10.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.427 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.51 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 66.4 p-90 -156.13 153.92 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 108.026 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.0 mt -139.1 122.08 16.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.03 101.99 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' CD1' HD21 ' A' ' 44' ' ' LEU . 65.2 mt -97.61 160.97 13.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.23 114.13 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.9 p90 -118.54 159.72 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 107.96 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.2 175.61 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -109.49 170.87 4.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 149.0 35.86 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.32 -81.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.02 99.11 2.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -79.38 157.23 75.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.753 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 152.88 41.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 m -52.16 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -174.64 -56.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER 60.8 134.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.67 19.33 8.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mt -53.48 151.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.0 p -126.7 168.49 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.555 ' CE1' HD21 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -140.67 120.94 13.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.3 mt -97.38 111.41 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.415 HD21 ' CD1' ' A' ' 26' ' ' LEU . 18.8 tp -68.89 109.96 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' OE1' ' CD1' ' A' ' 82' ' ' ILE . 4.0 mt-10 -94.54 164.06 13.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.86 133.28 4.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.512 ' HB2' ' CG ' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -119.29 114.68 22.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 173.59 96.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 178.16 170.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.405 ' O ' ' CG2' ' A' ' 50' ' ' THR . 0.5 OUTLIER -38.8 119.09 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 50' ' ' THR . 0.5 OUTLIER 78.89 -54.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.84 -60.85 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 39.74 86.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 42.84 -166.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.593 ' CG ' ' CE ' ' A' ' 80' ' ' LYS . 11.6 m-85 -91.86 165.12 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -133.33 147.91 66.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.43 41.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.67 -59.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.56 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 46.7 t80 -105.69 151.95 23.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.6 85.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.2 172.13 28.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.1 47.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -119.52 145.85 45.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.555 HD21 ' CE1' ' A' ' 42' ' ' TYR . 29.6 mt -93.36 35.82 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -178.0 134.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 47.6 t80 -145.58 155.83 43.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 m -113.35 94.48 4.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.4 t -60.38 132.8 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.93 167.19 12.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.5 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 1.6 m-20 65.07 84.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 70' ' ' ASN . 21.6 mt -142.82 -176.74 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -116.68 151.74 35.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -77.35 151.86 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.78 70.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 76' ' ' LYS . 77.8 m -150.21 165.07 34.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -121.11 149.38 42.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -148.87 153.82 38.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -109.0 128.29 54.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -125.7 161.0 28.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.593 ' CE ' ' CG ' ' A' ' 55' ' ' PHE . 3.2 ptpt -156.99 135.54 11.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 2.2 p -92.63 113.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 5.4 mt -104.74 123.06 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -100.58 114.76 28.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.484 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -123.25 161.96 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.416 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 48.5 t30 -123.43 149.6 44.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.36 -24.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 110.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.492 ' OE1' ' CB ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -76.76 -47.33 22.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -165.44 -166.68 24.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.12 179.14 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.29 -168.0 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -76.95 145.53 74.14 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -75.0 158.12 42.4 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.455 ' CB ' HG12 ' A' ' 81' ' ' VAL . 36.6 p -81.29 168.59 18.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.6 117.04 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.5 t -57.38 116.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.5 m -100.58 164.0 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -129.92 139.09 51.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 16.2 m-85 -145.24 161.45 39.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -128.0 152.12 48.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.3 p -88.54 -176.19 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -101.72 166.44 12.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.06 11.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -58.73 163.92 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.1 t -93.35 91.53 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.68 164.37 6.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 127.62 10.78 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -130.09 123.23 29.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.51 110.9 22.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t 66.25 136.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.02 164.44 11.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.96 -82.64 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.32 92.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.5 101.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.53 -104.9 2.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.14 22.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.47 170.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.97 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.9 ttt -65.7 125.11 89.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.45 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.95 -171.3 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.8 137.48 42.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.61 146.1 0.77 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.983 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.4 9.93 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 m -82.29 -176.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.531 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 2.7 tp -139.61 99.74 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.0 p -65.55 -54.77 23.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.01 142.94 47.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.04 114.29 27.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.86 166.75 25.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.7 mt -68.54 -46.21 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -121.31 15.38 11.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 62.6 p-90 -145.33 153.54 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -141.59 116.5 9.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.51 106.28 18.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 98' ' ' PHE . 19.2 mt -99.83 169.24 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.54 117.18 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.51 ' CG ' HG23 ' A' ' 81' ' ' VAL . 37.4 p90 -126.57 160.1 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.65 176.17 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 160.82 80.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 64.18 5.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' THR . 2.4 m 48.29 -175.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -39.94 95.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' SER . 1.8 p -66.07 157.35 81.15 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.19 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 8.2 t -76.37 -53.5 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 36' ' ' SER . 6.9 t70 79.12 74.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -146.7 -168.93 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.71 73.36 2.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.092 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.1 mt -69.73 139.05 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.3 m -106.07 167.2 9.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.025 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 5.2 m-85 -143.63 127.1 16.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.6 mt -98.43 117.35 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.402 HD22 ' CG2' ' A' ' 68' ' ' VAL . 22.7 tp -81.4 112.86 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -97.4 163.6 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.237 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.54 128.7 5.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HB2' ' CD2' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -117.37 116.3 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG3' ' CD1' ' A' ' 77' ' ' TYR . 9.1 tm-20 -177.89 115.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 173.37 174.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.327 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.2 p -44.76 -59.17 2.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.62 -60.25 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.7 -74.86 2.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 38.96 90.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.85 158.15 21.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CD1' ' HE2' ' A' ' 80' ' ' LYS . 4.7 m-85 -82.91 165.91 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -133.4 148.58 69.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.67 34.14 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -125.36 -50.98 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.474 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 42.5 t80 -115.64 158.32 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -158.54 83.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.19 171.05 30.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 36.29 1.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.5 152.79 23.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.73 30.4 4.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.47 137.95 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 71.0 t80 -148.44 159.06 44.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.7 m -118.57 93.63 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.402 ' CG2' HD22 ' A' ' 44' ' ' LEU . 69.4 t -61.56 108.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -99.51 -176.25 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m120 53.91 78.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.426 HD11 ' CA ' ' A' ' 23' ' ' TRP . 22.1 mt -138.0 -177.35 4.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -119.82 161.27 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 150.09 24.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.95 70.6 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.157 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -150.29 171.69 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.65 146.88 45.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.413 ' CD1' ' HG3' ' A' ' 48' ' ' GLU . 23.7 m-85 -150.2 142.3 24.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.46 ' CD ' ' CG1' ' A' ' 95' ' ' VAL . 5.5 ttmt -95.23 150.64 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -151.6 138.65 19.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 55' ' ' PHE . 2.0 pttt -140.09 133.0 29.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.51 HG23 ' CG ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -90.57 114.18 27.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 8.4 mt -106.48 117.79 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -93.36 117.21 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.17 163.07 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.41 152.18 41.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.3 m -50.12 -22.07 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.43 -45.41 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.7 -166.31 25.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.94 178.08 4.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.19 -167.06 1.93 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -80.32 145.58 60.18 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.0 156.97 43.02 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.8 m -88.23 175.91 7.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.85 127.85 32.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.46 ' CG1' ' CD ' ' A' ' 78' ' ' LYS . 71.6 t -71.82 116.38 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.3 m -103.71 177.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -143.48 154.62 43.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 23.6 m-85 -149.3 156.07 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.406 HG21 ' N ' ' A' ' 100' ' ' THR . 3.3 m -123.97 163.94 20.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.435 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.406 ' N ' HG21 ' A' ' 99' ' ' THR . 43.0 p -111.36 175.1 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.86 168.65 17.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 108.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.04 41.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -140.96 160.06 40.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.38 -56.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.45 102.4 0.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.5 17.91 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.4 m -69.37 162.98 26.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.6 88.45 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 t -162.57 105.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.62 149.73 26.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.79 136.93 13.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -162.18 137.79 7.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.99 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.26 128.36 35.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.043 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.06 -135.5 8.35 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 136.63 20.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.66 168.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 8.1 ttt -56.4 127.08 71.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.94 -179.03 4.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.19 138.58 32.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.66 144.99 2.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 127.98 11.11 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.412 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.9 m -85.41 -176.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 2.7 tp -141.27 103.86 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.491 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 41.1 p -73.24 -51.79 16.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 134.17 35.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.43 117.44 33.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.515 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -93.97 -176.14 39.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.103 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.5 mt -83.5 -41.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 p -124.88 21.26 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.515 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 65.6 p-90 -153.97 154.24 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.7 mt -143.27 123.85 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.48 101.48 12.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.2 mt -96.57 158.29 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.491 ' OE1' ' CG2' ' A' ' 17' ' ' THR . 2.6 tt0 -138.68 121.38 16.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -132.22 158.98 40.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.025 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.43 159.66 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -55.67 166.34 1.03 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 141.85 27.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.56 -49.27 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.025 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.97 66.27 2.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 35' ' ' PRO . 0.5 OUTLIER -138.42 164.82 37.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 110.424 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.425 ' N ' HG23 ' A' ' 34' ' ' THR . 18.5 Cg_endo -74.96 118.09 5.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.8 p -39.63 109.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.946 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -131.7 -47.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 37' ' ' ASP . 24.3 tt0 60.44 128.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' ILE . . . 106.08 -17.03 41.84 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' GLY . 8.5 mt -39.83 147.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -103.35 176.41 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.495 ' OH ' ' CB ' ' A' ' 30' ' ' LYS . 21.3 m-85 -149.88 135.52 18.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.51 HD13 ' CD2' ' A' ' 84' ' ' TYR . 15.2 mt -102.43 116.35 45.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.2 tp -87.5 108.67 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.26 160.15 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.552 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 19.6 ttp -153.86 124.34 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.545 ' HB2' ' CD2' ' A' ' 55' ' ' PHE . 2.5 tm-20 -120.47 116.21 24.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -173.94 101.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.58 -45.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.1 p -139.05 -60.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.24 172.03 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.88 122.46 9.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -156.6 -62.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.0 132.51 2.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.545 ' CD2' ' HB2' ' A' ' 47' ' ' GLU . 4.3 m-85 -79.97 164.07 23.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.773 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -132.73 145.91 59.14 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 148.39 35.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 -48.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.527 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 69.4 t80 -114.61 157.4 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -164.23 78.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.99 178.15 26.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -99.28 51.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -121.09 154.49 36.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 mt -105.27 25.66 10.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.085 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.68 140.41 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.527 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 88.3 t80 -147.82 157.99 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.8 m -113.33 94.53 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.66 97.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -86.57 175.39 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.495 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 20.7 t30 60.7 83.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 70' ' ' ASN . 20.4 mt -142.75 -178.17 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -117.86 140.83 49.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 136.64 58.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.43 ' N ' ' HG1' ' A' ' 100' ' ' THR . 0.4 OUTLIER 41.86 76.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.966 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.5 m -148.54 138.98 22.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.12 150.16 33.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.546 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 2.7 m-85 -155.5 133.69 11.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -95.77 136.73 35.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.552 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 67.5 m-85 -139.51 143.93 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.521 ' HE2' ' CD1' ' A' ' 55' ' ' PHE . 0.9 OUTLIER -141.56 132.16 25.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 p -89.41 132.3 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.437 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 9.2 mt -124.22 116.79 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -91.06 123.4 34.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.51 ' CD2' HD13 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -131.64 162.12 31.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.8 OUTLIER -123.71 150.82 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.74 -26.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 85' ' ' ASN . 62.1 mt-10 -73.85 -47.63 36.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.95 -156.42 10.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 156.67 45.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.59 -164.1 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -80.24 154.03 74.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.437 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.97 164.76 32.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.769 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.414 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 8.6 t -97.71 179.33 4.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.3 124.15 17.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 90.2 t -72.55 118.23 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 32.5 m -102.17 179.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -146.89 141.39 26.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 11.0 m-85 -141.4 154.03 45.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -117.71 148.23 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.43 ' HG1' ' N ' ' A' ' 74' ' ' SER . 44.4 p -83.52 176.36 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.86 167.52 15.11 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.324 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 131.72 14.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -61.12 109.28 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.0 p -111.61 143.76 41.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 177.05 157.74 18.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 64.95 6.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.7 t -73.66 142.84 46.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.17 -57.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.57 168.13 15.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -166.14 -55.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.58 139.72 5.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.69 145.61 43.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -135.28 98.18 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.72 -128.68 2.47 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.65 13.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.64 179.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.9 ttt -63.54 116.71 28.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.03 168.56 24.54 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.43 142.53 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.0 145.53 11.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.75 12.64 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.3 m -84.57 -174.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.408 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 2.9 tp -139.13 92.0 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.4 p -66.28 -59.06 4.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.82 137.63 52.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.8 119.52 39.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -96.98 169.12 25.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' CG1' ' HB2' ' A' ' 101' ' ' CYS . 74.1 mt -73.49 -45.52 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 p -121.79 24.17 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.9 p-90 -157.47 158.81 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.5 mt -140.92 128.5 21.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -104.92 100.14 9.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.424 HD21 ' CE2' ' A' ' 98' ' ' PHE . 29.9 mt -94.68 168.17 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.57 116.99 6.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.488 ' CG ' HG22 ' A' ' 81' ' ' VAL . 41.9 p90 -123.45 166.29 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.08 164.71 24.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 1.4 pttt -88.43 161.07 43.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 176.64 9.66 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 t -83.45 143.31 30.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 39.1 79.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 p -79.07 152.21 76.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 110.411 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -46.82 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -43.8 166.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 38' ' ' GLU . 12.3 t0 -96.82 67.83 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER 60.26 126.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.337 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.05 105.96 2.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 41' ' ' SER . 30.1 mt -129.27 143.1 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 40' ' ' ILE . 77.5 p -110.02 150.78 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.495 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 3.9 m-85 -136.39 134.05 37.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mt -96.35 120.2 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.5 tp -90.11 108.25 19.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -96.68 162.46 13.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 18.4 ttp -155.51 132.82 10.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HB2' ' CG ' ' A' ' 55' ' ' PHE . 2.9 tt0 -117.81 134.77 54.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.247 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -77.24 -169.54 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' THR . 1.1 tt0 -118.18 -58.76 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' GLU . 75.1 p -38.38 -67.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.4 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 p -101.07 -67.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.14 -68.49 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 51.88 25.61 3.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 0.794 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.68 175.83 51.08 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.422 1.076 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.5 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 12.6 m-85 -83.43 144.73 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.734 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -128.77 149.09 71.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.64 19.34 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.48 -42.1 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 53.5 t80 -113.04 164.07 13.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -174.63 84.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.2 -178.12 23.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.08 39.04 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.55 151.58 37.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 42.2 mt -93.11 27.19 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.64 156.36 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 25.0 t80 -157.04 158.83 37.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.4 m -115.8 94.75 4.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.456 HG21 ' CD2' ' A' ' 66' ' ' TYR . 16.4 t -60.63 146.5 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.35 169.26 17.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 62.93 72.71 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.8 mt -133.7 -168.24 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -130.92 148.11 52.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 149.63 47.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.69 71.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.1 m -150.3 144.86 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.18 150.29 20.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -153.95 146.25 23.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HB3' ' CG1' ' A' ' 95' ' ' VAL . 33.0 mtpt -100.69 131.85 46.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 26.9 m-85 -123.64 155.04 38.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.5 ' HE3' ' CD1' ' A' ' 55' ' ' PHE . 2.0 pttp -152.69 129.39 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG22 ' CG ' ' A' ' 28' ' ' TRP . 1.9 p -87.05 123.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.426 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 12.3 mt -114.77 112.67 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.39 130.26 36.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.509 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -139.79 160.51 39.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 1.0 OUTLIER -123.78 152.03 42.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -44.96 -26.09 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 85' ' ' ASN . 1.3 mt-10 -77.15 -47.0 21.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.17 175.09 46.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -105.53 163.53 12.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.753 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.44 -165.08 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -77.64 152.65 80.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.95 163.08 36.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 t -93.61 -176.56 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.38 129.97 43.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.43 ' CG1' ' HB3' ' A' ' 78' ' ' LYS . 83.2 t -73.83 118.48 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.7 m -101.02 169.2 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.555 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.8 tt0 -131.68 152.43 50.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.555 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 19.7 m-85 -151.69 176.77 11.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 m -138.74 149.5 45.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 43.3 p -96.99 162.97 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.421 ' HB2' ' CG1' ' A' ' 21' ' ' ILE . 1.4 m -53.03 164.55 0.7 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.288 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -45.07 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.5 t0 74.64 -58.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.44 161.48 13.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 177.97 -174.24 46.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -43.71 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.6 p -62.43 124.95 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m 62.6 121.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -157.5 91.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.976 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.77 -58.86 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.01 -145.86 8.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -77.36 96.38 4.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 0.724 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 p -108.79 -60.17 1.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.13 -136.69 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 138.87 23.68 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.553 1.817 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.19 174.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 ttt -69.09 122.45 85.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.442 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.6 Cg_endo -74.93 173.17 14.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.99 138.3 31.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.25 145.51 1.83 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 125.73 9.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.798 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 m -81.83 -178.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 tp -134.07 88.49 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -58.96 -59.15 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.429 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.1 133.51 44.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.8 118.1 35.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.522 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.67 176.32 33.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 103' ' ' ASP . 18.2 mt -78.05 -43.0 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 0.744 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.5 p -125.12 22.0 7.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.522 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.4 p-90 -153.91 155.9 36.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 mt -142.63 117.95 10.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.99 100.69 13.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 mt -94.59 161.82 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.74 112.57 6.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -114.58 160.59 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 107.981 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 m -119.94 171.75 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -69.75 161.65 73.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 163.6 34.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.23 126.98 29.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.044 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 42.03 90.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 p -66.05 157.5 80.42 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.67 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.551 1.816 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.12 155.18 28.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.933 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.94 48.98 1.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -95.71 37.5 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.32 108.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.4 mt -103.07 140.07 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -118.31 156.99 27.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.505 ' CE1' HD22 ' A' ' 64' ' ' LEU . 7.7 m-85 -133.59 129.56 37.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.453 HD11 ' CD2' ' A' ' 84' ' ' TYR . 9.7 mt -97.77 122.66 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.3 tp -90.02 108.06 19.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -94.2 160.47 14.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.501 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 29.0 ttp -161.78 121.42 2.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 2.7 tm-20 -126.52 118.93 25.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -92.73 -177.28 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 72.52 -175.72 0.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.4 p -62.05 142.27 57.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 47.07 -173.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.85 -109.13 3.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 49.66 99.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.93 3.94 8.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 47' ' ' GLU . 10.2 m-85 -40.67 108.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -91.38 147.89 36.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 148.93 35.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -46.27 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.583 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 45.5 t80 -115.02 155.94 26.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.53 80.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.47 171.83 25.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.48 44.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.93 151.61 37.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.505 HD22 ' CE1' ' A' ' 42' ' ' TYR . 18.8 mt -98.06 31.28 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.51 145.13 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 70.4 t80 -154.43 159.08 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -118.21 104.29 10.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.32 149.33 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -143.62 165.53 27.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 69.68 60.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.414 HD13 ' CA ' ' A' ' 23' ' ' TRP . 24.8 mt -121.44 -176.24 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -122.44 149.16 44.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 137.11 54.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.01 79.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -149.75 132.71 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 127.14 32.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.501 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 7.5 m-85 -136.21 149.9 48.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.461 ' CD ' HG12 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -111.78 151.17 29.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.501 ' CE2' ' HG3' ' A' ' 46' ' ' MET . 97.0 m-85 -150.31 137.99 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -140.24 127.91 21.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.441 HG13 ' CB ' ' A' ' 93' ' ' SER . 1.1 p -82.58 132.72 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.46 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 4.6 mt -124.17 114.61 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.442 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -92.68 115.23 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -122.95 161.09 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER -123.7 151.63 42.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -25.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -78.06 -47.12 19.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.56 174.54 45.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -104.12 157.5 17.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.81 -168.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.952 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -74.07 150.37 87.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.46 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.0 159.17 41.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.441 ' CB ' HG13 ' A' ' 81' ' ' VAL . 3.0 t -90.49 159.88 16.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -40.92 135.93 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.461 HG12 ' CD ' ' A' ' 78' ' ' LYS . 65.2 t -79.42 124.4 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.3 m -107.99 169.31 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.41 145.87 50.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -145.08 174.13 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.3 m -139.22 166.53 24.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.2 p -115.64 167.14 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.94 166.77 1.26 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.279 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -42.24 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.461 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 0.0 OUTLIER 62.01 155.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 m 60.68 85.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.956 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -177.23 126.16 1.08 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.68 15.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.5 m 46.87 83.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 t 67.4 133.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.956 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 m -60.53 141.18 56.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 63.7 153.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.69 163.98 11.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -62.67 88.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.8 p -71.65 89.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.76 152.66 5.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 154.24 42.59 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.565 1.824 . . . . 0.0 111.041 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -179.58 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.054 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.3 ttt -66.48 122.37 81.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.01 172.17 16.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.17 136.52 33.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.02 143.64 4.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.09 12.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.8 m -89.5 -174.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 5.2 tp -133.89 88.46 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 27' ' ' GLN . 43.8 p -55.98 -60.44 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.01 129.51 34.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.64 117.6 34.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.519 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.95 -169.99 35.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.142 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.5 mt -89.47 -43.21 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.8 p -123.08 30.44 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.519 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.6 p-90 -164.77 154.96 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.962 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 mt -141.39 115.33 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.68 99.96 12.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.78 161.57 14.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.455 ' HB2' ' CG2' ' A' ' 17' ' ' THR . 0.0 OUTLIER -144.92 117.89 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.1 p90 -124.46 159.57 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -125.37 166.19 17.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 163.18 18.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 152.57 40.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 p -59.77 134.09 56.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.95 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 44.29 85.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.432 ' OG1' ' HD2' ' A' ' 35' ' ' PRO . 0.5 OUTLIER -122.09 164.14 27.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 0.0 110.442 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.432 ' HD2' ' OG1' ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.0 -75.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.6 t -69.24 111.86 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -63.9 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.7 115.79 25.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.09 -19.59 1.09 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.35 150.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.9 m -119.92 151.0 39.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 3.3 m-85 -134.88 133.68 39.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.8 mt -99.62 121.34 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 tp -88.37 102.42 14.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -95.46 160.19 14.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.559 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.93 133.63 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.581 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -144.0 156.34 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.42 146.82 37.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 72.0 171.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.8 p 46.15 -167.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.35 -65.87 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.91 63.1 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -104.77 -1.4 26.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' PHE . . . -126.23 7.08 7.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.581 ' CD1' ' HB2' ' A' ' 47' ' ' GLU . 1.7 m-85 -37.08 115.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.85 149.12 35.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 156.56 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.569 1.826 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.46 -52.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.2 t80 -110.18 148.22 32.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -150.42 79.69 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.44 170.7 26.05 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -97.6 41.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -114.25 150.77 33.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 42' ' ' TYR . 23.4 mt -97.37 26.66 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -167.22 143.16 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 74.1 t80 -151.59 157.98 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -115.97 99.25 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.35 143.44 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.26 170.95 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 60.11 72.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.9 mt -131.23 -169.01 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.29 144.37 50.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.65 149.45 50.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.68 78.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.5 m -148.03 166.1 28.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.42 116.35 24.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -125.41 147.2 49.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.488 ' O ' ' CD2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -94.88 166.68 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 46' ' ' MET . 79.9 m-85 -162.93 149.91 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.544 ' CE ' ' CD2' ' A' ' 55' ' ' PHE . 6.8 pttt -153.92 131.98 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.42 131.41 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 5.8 mt -123.35 120.51 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.405 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -92.68 114.67 27.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.508 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -123.08 160.68 25.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 88' ' ' GLY . 59.0 m-20 -123.85 152.68 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.5 -27.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 85' ' ' ASN . 47.8 mt-10 -72.57 -47.18 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -171.81 -155.71 11.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -128.35 155.15 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.08 -164.33 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -76.0 149.95 83.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.471 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -74.96 162.98 36.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -95.67 175.96 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.05 133.29 43.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.422 HG13 ' CD ' ' A' ' 78' ' ' LYS . 99.0 t -80.13 125.25 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.25 164.02 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -130.38 146.12 51.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 19.1 m-85 -148.38 168.72 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 m -131.82 166.61 21.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.6 p -111.56 175.95 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.3 166.77 14.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.38 29.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -88.07 102.03 14.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.4 p -173.88 133.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.7 89.71 0.61 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 136.93 20.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.1 m 61.23 170.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.05 136.19 8.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.571 1.17 . . . . 0.0 110.983 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.27 116.51 47.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 168.96 23.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.48 136.95 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.48 146.63 3.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.53 16.72 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.781 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.52 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.5 m -89.12 -175.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.7 tp -133.71 86.4 2.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.457 HG23 ' HB2' ' A' ' 27' ' ' GLN . 44.6 p -55.13 -60.91 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.371 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.25 132.72 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -107.84 114.99 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.11 -165.34 35.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.5 mt -93.46 -48.37 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.792 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 p -119.33 31.92 6.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.525 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 63.3 p-90 -165.61 154.49 11.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.046 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.0 mt -142.04 120.57 12.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.75 100.36 12.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.087 HD12 HD21 ' A' ' 44' ' ' LEU . 26.7 mt -94.26 160.0 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -143.12 124.48 14.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CG ' HG21 ' A' ' 81' ' ' VAL . 40.9 p90 -130.51 161.23 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -124.22 170.02 11.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 4.8 ptmt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.412 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 8.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.554 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 4.2 m-85 -140.06 134.45 31.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 59' ' ' TYR . 7.3 mt -100.72 119.69 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.087 HD21 HD12 ' A' ' 26' ' ' LEU . 24.1 tp -83.34 117.35 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -102.33 165.14 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.489 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.71 134.64 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.502 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.0 144.67 30.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.802 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' CD ' ' HB3' ' A' ' 46' ' ' MET . 0.1 OUTLIER -122.21 -53.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.603 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 46.9 t80 -113.84 145.22 41.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -149.09 83.83 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.98 -166.09 10.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -119.0 42.83 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.37 148.44 43.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.554 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 41.7 mt -93.11 31.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.93 149.81 3.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.603 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 73.3 t80 -156.35 154.4 30.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m -114.38 95.6 5.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 t -56.57 150.88 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -140.1 171.29 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.475 ' O ' HD23 ' A' ' 71' ' ' LEU . 22.8 t30 60.54 75.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 70' ' ' ASN . 33.3 mt -130.65 -173.22 3.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -124.2 140.57 52.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -60.92 147.57 42.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER 38.96 68.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.6 m -144.6 153.09 41.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 144.97 33.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -147.08 154.66 41.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -100.98 157.2 16.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 46' ' ' MET . 69.6 m-85 -159.58 139.36 11.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.4 ' HE2' HG22 ' A' ' 95' ' ' VAL . 13.2 ptpt -142.44 130.25 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.617 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -78.16 131.46 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 8.0 mt -123.11 113.35 37.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.35 129.99 36.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.472 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -141.94 163.42 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -123.6 160.18 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -20.78 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.71 -47.19 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.42 -158.16 11.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.47 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -133.08 164.33 27.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.45 -165.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -76.99 152.74 82.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.03 164.97 32.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.407 ' CB ' HG12 ' A' ' 81' ' ' VAL . 8.7 t -95.36 176.68 6.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.88 143.73 7.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.452 HG11 ' CD ' ' A' ' 78' ' ' LYS . 94.7 t -88.24 112.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.59 163.02 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -129.75 148.78 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.605 ' CD1' HD22 ' A' ' 16' ' ' LEU . 33.6 m-85 -147.8 162.45 39.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 100' ' ' THR . 2.8 m -123.94 165.47 17.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.4 ' N ' HG22 ' A' ' 99' ' ' THR . 1.9 p -113.84 167.22 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.288 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -68.14 -173.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.7 ttt -80.27 119.93 77.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.497 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.0 167.64 26.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.15 136.94 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.79 147.66 1.56 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.42 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.425 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.0 m -84.5 -178.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tp -134.6 87.78 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 p -59.96 -54.15 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -132.85 151.74 51.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.65 135.68 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.512 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -117.94 162.89 12.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 mt -69.33 -36.56 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -130.6 23.22 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.512 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 69.3 p-90 -155.39 159.75 40.13 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.0 mt -147.09 119.23 8.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.63 99.98 11.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.404 HD22 ' CE2' ' A' ' 98' ' ' PHE . 46.2 mt -96.0 173.48 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -155.21 117.71 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.702 ' CG ' HG21 ' A' ' 81' ' ' VAL . 37.8 p90 -120.5 165.11 15.42 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.71 169.01 13.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 5.2 m-85 -119.43 123.68 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 59' ' ' TYR . 88.6 mt -96.97 115.67 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.444 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 21.6 tp -76.09 137.96 40.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG3' HD12 ' A' ' 82' ' ' ILE . 4.0 mt-10 -117.51 163.55 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.2 ttp -156.75 134.53 10.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 9.9 mmtt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.07 175.78 10.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.26 -46.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 43' ' ' ILE . 55.6 t80 -114.51 160.71 18.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -168.25 80.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.28 175.63 29.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -94.66 40.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -111.63 149.61 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -101.88 32.08 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.99 144.73 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -153.13 148.29 26.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.6 m -109.29 97.29 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 23.9 t -61.04 150.59 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -143.84 -173.78 4.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 51.47 59.97 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.7 mt -121.95 -165.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.0 156.59 43.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 138.63 42.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.12 77.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -150.22 139.35 21.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -77.23 145.1 37.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.421 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 11.0 m-85 -153.74 146.67 24.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 79' ' ' PHE . 3.5 mttt -105.51 162.59 13.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 78' ' ' LYS . 94.0 m-85 -163.02 136.31 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.466 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -141.11 126.17 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.702 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -79.6 129.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.449 HD12 ' HG3' ' A' ' 45' ' ' GLU . 10.3 mt -122.19 116.47 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.497 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -95.45 114.62 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -117.3 162.29 18.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.419 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -123.37 149.34 45.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -45.36 -25.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.054 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.68 -47.21 27.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.91 -162.84 21.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -106.68 -177.6 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.49 -168.07 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -79.71 143.31 58.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.408 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.99 164.12 34.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t -96.05 167.62 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.35 120.55 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.543 HG12 ' HG2' ' A' ' 78' ' ' LYS . 61.2 t -68.57 119.83 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.0 m -101.8 169.42 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -133.07 146.1 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 22.1 m-85 -147.81 169.97 18.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.2 m -138.7 147.32 42.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.9 p -78.7 -175.57 4.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.25 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -81.19 -173.08 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.9 ttt -66.65 116.27 32.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.515 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 166.25 29.6 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.71 137.09 34.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.68 145.53 2.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.04 9.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.53 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.2 m -80.94 -174.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.504 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.0 tp -138.31 92.5 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 p -57.99 -51.72 68.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 110.414 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 154.75 48.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -121.6 119.46 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.515 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -98.85 174.27 27.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 101' ' ' CYS . 8.2 mt -80.72 -33.49 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.1 p -132.12 23.84 4.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.515 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 63.6 p-90 -158.44 155.11 27.99 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.2 mt -140.2 116.13 10.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.71 104.14 16.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.9 mt -98.98 164.68 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.53 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -150.16 117.59 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.57 ' CG ' HG21 ' A' ' 81' ' ' VAL . 38.7 p90 -122.34 163.79 19.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 107.979 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -127.84 175.05 8.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.472 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 27.3 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.608 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 9.7 m-85 -121.86 126.76 49.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.6 mt -97.01 112.68 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.417 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 30.4 tp -76.67 111.52 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.501 ' HG3' HD12 ' A' ' 82' ' ' ILE . 1.9 mt-10 -97.33 163.88 12.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.461 ' HB3' ' CD ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -162.68 144.75 10.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' N ' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.51 38.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.461 ' CD ' ' HB3' ' A' ' 46' ' ' MET . 0.1 OUTLIER -129.03 -50.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.537 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 44.9 t80 -117.69 156.59 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.16 82.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.65 169.69 29.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.23 41.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.09 148.91 32.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.608 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 21.9 mt -99.45 33.03 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.77 140.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.537 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 90.2 t80 -151.69 156.55 40.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.6 m -119.67 103.88 9.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.7 t -68.57 145.85 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -134.59 174.82 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 63.86 66.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.1 mt -124.49 -175.86 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -119.76 147.56 44.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 146.15 55.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.99 74.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 99.0 m -150.22 163.4 38.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.75 154.43 31.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.404 ' CE1' ' HE1' ' A' ' 46' ' ' MET . 33.5 m-85 -153.69 145.29 23.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -100.77 129.65 46.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -129.32 149.31 51.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -145.97 133.96 21.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.57 HG21 ' CG ' ' A' ' 28' ' ' TRP . 2.0 p -88.05 129.45 39.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.501 HD12 ' HG3' ' A' ' 45' ' ' GLU . 5.9 mt -120.01 116.26 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -91.6 117.55 29.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.472 ' CE1' ' HB2' ' A' ' 41' ' ' SER . 0.4 OUTLIER -128.14 163.02 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.77 164.29 19.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 m -54.14 -20.05 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.1 -47.23 13.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.04 -156.31 10.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.569 1.168 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 1.5 pttp -131.26 156.67 45.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.84 -166.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -76.13 150.06 82.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.473 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.01 159.6 41.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -91.15 175.33 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.96 128.15 26.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.3 t -72.77 122.44 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.7 m -101.35 162.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.32 141.95 49.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -144.06 170.78 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -132.33 146.81 52.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.2 p -92.56 177.19 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.588 ' O ' HG23 ' A' ' 21' ' ' ILE . 3.7 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.009 -0.419 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -69.94 -175.53 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.8 ttt -74.98 120.02 79.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.09 167.39 27.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.08 137.13 34.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 146.4 1.63 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.07 11.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.542 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.2 m -84.13 -170.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.4 tp -141.15 96.39 2.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.537 HG23 ' HB2' ' A' ' 27' ' ' GLN . 41.8 p -65.8 -55.5 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.05 143.95 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -114.82 115.11 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.91 161.12 22.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 101' ' ' CYS . 6.6 mt -67.98 -34.67 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.0 p -131.7 22.67 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.51 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 64.8 p-90 -156.36 153.96 29.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 19' ' ' ALA . 63.5 mt -140.3 121.36 14.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.2 100.91 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 44' ' ' LEU . 54.8 mt -93.09 161.79 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.542 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -143.95 112.61 6.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.428 ' CG ' HG21 ' A' ' 81' ' ' VAL . 39.8 p90 -112.19 163.37 14.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.62 173.68 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.421 ' CE1' HD23 ' A' ' 64' ' ' LEU . 4.0 m-85 -139.96 123.9 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.419 HD11 ' CD2' ' A' ' 84' ' ' TYR . 20.4 mt -96.66 123.48 48.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.785 HD21 HD12 ' A' ' 26' ' ' LEU . 21.3 tp -87.02 110.52 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.525 ' HG3' HD12 ' A' ' 82' ' ' ILE . 17.9 mt-10 -94.24 162.19 13.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.493 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -162.09 140.23 8.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.413 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.0 133.5 16.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.771 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HE3' HG13 ' A' ' 68' ' ' VAL . 5.5 mmmt -102.97 -61.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -108.75 151.75 25.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -146.0 84.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.89 -165.41 12.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -123.15 46.72 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -116.57 154.98 29.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.421 HD23 ' CE1' ' A' ' 42' ' ' TYR . 25.3 mt -99.21 29.05 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.34 147.64 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -156.85 158.78 37.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -117.37 105.28 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.466 HG13 ' HE3' ' A' ' 58' ' ' LYS . 18.7 t -70.54 148.11 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -136.18 172.06 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.733 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.0 m-80 59.26 78.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 70' ' ' ASN . 21.8 mt -136.74 -176.97 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.68 144.92 48.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 142.44 58.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.2 p 42.08 78.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.5 m -147.51 128.01 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.99 124.81 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -132.43 144.41 50.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' CG ' ' HG3' ' A' ' 97' ' ' GLU . 11.0 mtpt -111.31 136.21 50.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 81.4 m-85 -133.7 146.86 51.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.582 ' HB3' HG22 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -143.1 132.12 22.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG13 ' HG2' ' A' ' 11' ' ' PRO . 1.5 p -85.58 132.14 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.525 HD12 ' HG3' ' A' ' 45' ' ' GLU . 6.8 mt -122.93 112.97 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.24 119.46 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -126.83 161.34 28.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.402 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 7.8 t30 -124.0 152.7 42.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -45.54 -25.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.04 -47.33 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.91 176.11 45.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.99 157.64 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.41 -164.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -76.94 150.03 80.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.94 160.44 40.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t -92.1 177.67 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.991 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.71 131.08 48.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 80' ' ' LYS . 92.5 t -77.03 119.56 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.9 m -102.38 167.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 tt0 -133.08 153.66 51.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 35.9 m-85 -153.63 173.18 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 m -138.7 150.14 45.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.7 p -93.14 175.42 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.496 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.291 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -73.11 -174.26 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 ttt -78.26 120.49 81.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.51 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.03 164.43 33.3 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.441 1.758 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.7 136.73 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.462 ' HB3' HG13 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -46.99 146.41 2.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.003 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.498 ' O ' HG21 ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.95 136.3 20.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 27' ' ' GLN . 3.2 m -91.13 -169.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.759 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.3 tp -138.19 87.33 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.425 HG21 ' HG3' ' A' ' 27' ' ' GLN . 43.4 p -56.17 -61.05 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.72 131.28 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -110.28 118.65 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.11 -165.3 31.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 mt -90.51 -47.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.3 p -119.96 31.48 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.35 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 68.4 p-90 -163.35 158.72 21.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 108.01 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.458 HD12 HD13 ' A' ' 71' ' ' LEU . 35.1 mt -147.53 123.38 10.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.0 101.28 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 79' ' ' PHE . 30.7 mt -94.93 165.94 12.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' HG3' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -146.37 125.89 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.6 ' CG ' HG21 ' A' ' 81' ' ' VAL . 49.1 p90 -132.56 165.44 24.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.13 161.56 34.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.617 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -135.5 142.62 45.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.9 mt -108.46 127.42 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 26' ' ' LEU . 20.3 tp -87.55 108.9 19.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.576 ' HG3' HD12 ' A' ' 82' ' ' ILE . 2.8 mt-10 -100.37 149.6 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.41 ' HB3' ' CD ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -156.13 139.23 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 132.6 15.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.429 ' HE3' ' CG1' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -109.25 -54.17 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.438 ' OH ' ' N ' ' A' ' 63' ' ' ASP . 38.8 t80 -111.82 154.08 25.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -159.36 81.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.6 -171.42 17.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -94.66 -9.53 34.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 10.8 m-20 -71.59 158.55 36.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.617 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 1.3 mt -112.64 23.19 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.8 135.59 15.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -149.4 158.4 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.1 m -119.79 100.62 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.456 ' CG1' HD21 ' A' ' 71' ' ' LEU . 78.4 t -63.31 148.81 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -136.04 168.84 18.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.448 ' O ' HD23 ' A' ' 71' ' ' LEU . 87.4 m-20 61.93 72.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.458 HD13 HD12 ' A' ' 24' ' ' LEU . 49.6 mt -128.7 -166.43 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -122.53 149.34 44.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.29 153.49 31.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 41.09 61.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 76' ' ' LYS . 96.0 m -142.39 169.54 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.445 ' N ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -124.82 151.64 44.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -153.73 142.76 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' HB3' ' CG1' ' A' ' 95' ' ' VAL . 16.2 mtpt -94.96 148.69 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.47 ' CD2' HD11 ' A' ' 26' ' ' LEU . 53.6 m-85 -142.32 144.99 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.536 ' HB3' HG22 ' A' ' 95' ' ' VAL . 1.3 pttp -143.65 125.64 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.6 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.6 p -84.0 126.61 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.576 HD12 ' HG3' ' A' ' 45' ' ' GLU . 9.5 mt -118.09 117.92 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -95.83 118.94 33.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -127.2 162.44 26.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 88' ' ' GLY . 1.6 t-20 -123.6 151.56 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.5 m -48.76 -22.97 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -79.31 -47.45 15.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 85' ' ' ASN . . . -163.8 -164.93 20.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.421 ' CD ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -115.95 -170.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.78 -167.71 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -82.05 146.07 54.47 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.452 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.01 163.91 34.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.557 1.819 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.7 t -96.06 163.91 12.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.39 125.66 8.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 80' ' ' LYS . 91.3 t -69.42 124.8 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 14' ' ' PRO . 34.6 m -102.46 163.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -125.82 144.01 50.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 14.6 m-85 -146.83 165.21 30.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -131.08 155.48 46.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.0 p -96.87 178.1 5.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.436 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 108.337 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -173.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.6 ttt -69.96 117.26 52.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 176.21 10.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.63 139.99 30.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.68 147.56 1.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.04 11.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 27' ' ' GLN . 3.6 m -81.78 -176.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 98' ' ' PHE . 3.2 tp -140.9 95.42 2.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.4 p -66.97 -57.15 7.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.17 146.91 50.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.52 117.45 29.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.511 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -100.42 166.5 19.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.427 HG12 ' CB ' ' A' ' 101' ' ' CYS . 26.0 mt -70.31 -41.79 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.3 p -125.34 23.35 7.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.511 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 65.0 p-90 -155.68 154.13 31.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 108.014 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.406 HD12 HD13 ' A' ' 71' ' ' LEU . 25.9 mt -143.31 114.54 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.41 103.22 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.053 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.967 HD12 HD21 ' A' ' 44' ' ' LEU . 31.1 mt -99.85 164.36 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.795 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -148.96 115.9 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.695 ' CG ' HG21 ' A' ' 81' ' ' VAL . 44.1 p90 -115.64 164.4 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -125.5 164.06 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.58 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 2.9 m-85 -125.69 136.53 53.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.59 HD11 ' CD2' ' A' ' 84' ' ' TYR . 5.3 mt -101.27 112.97 36.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.967 HD21 HD12 ' A' ' 26' ' ' LEU . 20.5 tp -82.14 117.39 22.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.76 161.79 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.3 ttp -162.43 123.67 2.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.16 28.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -48.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.588 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 52.6 t80 -110.33 158.95 17.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.62 77.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.0 171.12 24.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -94.93 46.63 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.32 148.08 45.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.58 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 27.4 mt -95.84 29.13 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.02 141.12 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 72.4 t80 -149.41 153.35 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -112.6 96.91 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.0 t -58.28 147.02 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -134.57 178.83 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.759 ' O ' HD23 ' A' ' 71' ' ' LEU . 0.9 OUTLIER 47.82 85.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 70' ' ' ASN . 29.1 mt -140.57 -164.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -125.49 151.65 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -73.61 137.4 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.354 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.84 79.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.29 142.39 26.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.01 128.89 34.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.499 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 6.3 m-85 -138.23 152.64 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.44 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -110.99 151.49 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 77' ' ' TYR . 87.8 m-85 -150.1 137.34 19.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.4 ' HB3' HG22 ' A' ' 95' ' ' VAL . 8.8 ptpt -139.27 126.08 20.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.695 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.4 p -78.84 127.74 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 11.1 mt -120.93 109.39 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.418 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.42 125.5 35.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -135.94 164.51 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.16 155.07 37.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -20.23 4.4 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -85.43 -47.25 10.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.3 172.34 39.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 2.6 ptmm? -110.74 162.87 14.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.47 -166.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -82.39 155.24 69.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.458 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.98 163.71 34.82 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 t -94.4 177.26 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -55.78 125.7 22.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.44 HG11 ' CD ' ' A' ' 78' ' ' LYS . 75.7 t -70.83 117.77 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.5 m -101.06 171.98 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -132.9 146.65 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.473 ' CE2' HD22 ' A' ' 26' ' ' LEU . 13.0 m-85 -144.71 176.5 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -144.82 147.0 32.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.5 p -88.74 175.09 7.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.427 ' CB ' HG12 ' A' ' 21' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -176.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.5 ttt -57.94 116.59 14.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.4 Cg_endo -75.02 174.48 12.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.57 137.25 32.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.38 147.62 3.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.98 11.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.433 1.754 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.596 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.3 m -86.74 -174.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.9 tp -137.39 103.42 5.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p -74.23 -56.85 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.402 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.42 129.99 38.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.525 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -100.47 116.91 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -96.83 173.29 29.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -75.43 -49.47 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -118.37 24.45 10.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 68.0 p-90 -156.97 154.46 29.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 mt -139.15 116.36 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.04 100.01 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' CE2' ' A' ' 98' ' ' PHE . 57.5 mt -93.66 166.23 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.596 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -149.54 114.06 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.499 ' CG ' HG21 ' A' ' 81' ' ' VAL . 39.1 p90 -120.26 160.67 22.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -126.15 175.75 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.517 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -126.03 131.99 52.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 84' ' ' TYR . 8.1 mt -100.51 122.07 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 26' ' ' LEU . 18.4 tp -87.38 110.48 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -98.36 162.76 13.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.556 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.84 137.12 6.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.493 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.03 140.54 25.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -46.7 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.623 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.1 t80 -115.19 162.77 16.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.67 90.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.04 -173.64 21.2 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -114.23 36.8 3.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -111.84 152.37 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -95.18 31.43 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.93 147.14 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.623 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 53.4 t80 -152.56 158.66 42.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -115.21 98.82 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 5.7 t -65.93 145.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -135.49 179.24 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.686 ' O ' HD23 ' A' ' 71' ' ' LEU . 12.4 m-20 60.99 70.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 70' ' ' ASN . 20.9 mt -134.45 -176.71 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.8 155.43 41.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.9 150.48 45.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.18 75.14 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.9 m -149.04 164.49 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 147.51 44.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -149.68 151.0 32.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -106.77 131.46 53.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 70.7 m-85 -132.5 144.34 50.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.762 ' HB3' HG22 ' A' ' 95' ' ' VAL . 2.5 pttt -139.26 129.2 24.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.499 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.4 p -80.39 127.19 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 10.0 mt -118.36 111.82 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.456 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.31 122.86 33.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.517 ' CE1' ' HB2' ' A' ' 41' ' ' SER . 0.5 OUTLIER -136.6 164.14 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -123.64 163.08 21.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -57.08 -17.16 9.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.09 -47.22 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.26 -168.33 28.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -126.22 158.87 34.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.7 -168.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -74.86 151.99 86.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.1 Cg_endo -75.01 163.55 35.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -97.86 162.41 13.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.47 129.36 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.762 HG22 ' HB3' ' A' ' 80' ' ' LYS . 87.7 t -75.79 118.54 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.5 m -100.76 168.35 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -129.5 153.52 47.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.525 ' CE2' HD22 ' A' ' 26' ' ' LEU . 20.1 m-85 -148.35 174.67 11.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.3 m -138.36 153.98 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.6 p -97.46 -172.72 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 108.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -73.87 -175.11 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.486 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 7.2 ttt -72.12 122.63 87.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.01 -179.71 5.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.96 141.63 29.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.13 146.12 3.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.72 10.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 27' ' ' GLN . 2.9 m -80.93 179.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.653 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.5 tp -135.45 86.18 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.5 p -56.42 -61.27 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.442 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.77 138.35 52.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -113.72 115.7 28.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.511 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.05 -172.9 37.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.623 HG23 ' O ' ' A' ' 101' ' ' CYS . 19.2 mt -87.18 -44.13 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.4 p -121.88 17.74 10.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.511 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.8 p-90 -148.95 156.74 42.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 107.956 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.612 HD12 HD13 ' A' ' 71' ' ' LEU . 33.9 mt -146.45 115.07 6.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.98 100.17 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.447 HD22 ' CE2' ' A' ' 98' ' ' PHE . 49.1 mt -95.65 162.99 13.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.645 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -147.16 113.14 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.659 ' CG ' HG21 ' A' ' 81' ' ' VAL . 33.5 p90 -113.58 160.2 18.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -122.85 166.22 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 4.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.601 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 10.5 m-85 -124.98 121.78 35.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 59' ' ' TYR . 70.4 mt -98.45 120.31 47.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.505 HD23 HG22 ' A' ' 68' ' ' VAL . 21.1 tp -80.52 110.0 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -93.44 164.5 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 1.5 tmm? -159.82 143.63 14.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 58.1 mmtt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -74.96 141.27 26.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -117.33 -48.91 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.371 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.629 ' O ' HG23 ' A' ' 43' ' ' ILE . 28.4 t80 -118.44 160.33 21.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -161.59 86.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.11 170.78 29.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -96.94 44.13 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.55 146.75 43.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.601 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 17.9 mt -96.58 34.68 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.97 134.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 60.1 t80 -145.9 156.22 43.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.9 m -114.6 99.04 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.505 HG22 HD23 ' A' ' 44' ' ' LEU . 61.3 t -67.16 121.9 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -112.2 174.48 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.562 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.6 m-80 65.09 75.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.612 HD13 HD12 ' A' ' 24' ' ' LEU . 42.8 mt -134.56 178.94 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.37 156.56 28.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.46 137.67 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.3 75.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.1 m -145.03 137.27 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.373 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 146.46 29.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 10.4 m-85 -152.36 147.55 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -110.41 134.55 52.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 77' ' ' TYR . 92.4 m-85 -137.09 139.23 41.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.489 ' HB3' HG22 ' A' ' 95' ' ' VAL . 4.9 ptpt -139.02 124.98 19.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.659 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.3 p -78.46 133.35 30.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.2 mt -126.73 114.92 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -93.36 122.32 35.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 0.2 OUTLIER -126.44 161.54 27.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 1.5 t30 -123.79 151.8 42.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 m -49.28 -22.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -78.9 -42.4 27.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.19 -165.68 29.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.9 175.6 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -131.17 -165.22 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -86.17 149.49 50.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.45 27.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.486 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 6.2 t -103.9 159.2 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.74 120.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.489 HG22 ' HB3' ' A' ' 80' ' ' LYS . 67.8 t -68.09 120.65 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.8 m -102.46 169.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -132.59 144.9 50.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.334 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.577 ' CD1' HD22 ' A' ' 16' ' ' LEU . 15.2 m-85 -145.82 154.74 42.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 m -127.13 146.51 50.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.471 HG22 HD21 ' A' ' 24' ' ' LEU . 35.6 p -91.53 175.25 6.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.623 ' O ' HG23 ' A' ' 21' ' ' ILE . 1.1 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.048 -0.404 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -89.26 -174.21 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.7 ttt -66.89 120.89 75.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.04 -175.81 2.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.83 136.41 40.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.89 144.84 1.78 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.72 10.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 27' ' ' GLN . 3.4 m -82.22 176.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 98' ' ' PHE . 8.7 tp -126.08 81.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.567 HG23 ' HB2' ' A' ' 27' ' ' GLN . 17.9 p -53.76 -54.42 38.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.67 140.51 38.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -112.9 117.52 32.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.507 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.37 178.73 31.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.1 mt -79.64 -47.95 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -120.54 29.92 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.507 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.3 p-90 -163.23 156.45 19.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 19' ' ' ALA . 46.6 mt -143.92 114.24 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.8 103.67 16.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.482 HD12 HD21 ' A' ' 44' ' ' LEU . 18.6 mt -100.95 163.41 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.567 ' HB2' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -140.85 124.38 16.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.527 ' CG ' HG21 ' A' ' 81' ' ' VAL . 38.3 p90 -130.31 160.28 34.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 m -126.74 171.45 11.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 13.5 m-85 -130.51 129.0 42.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.458 HD11 ' CD2' ' A' ' 84' ' ' TYR . 16.7 mt -97.91 117.83 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.482 HD21 HD12 ' A' ' 26' ' ' LEU . 29.5 tp -82.5 108.99 16.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.474 ' HG3' HD12 ' A' ' 82' ' ' ILE . 5.1 mt-10 -96.45 165.02 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.423 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -162.24 136.76 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 2.9 mmtp . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -74.99 143.38 29.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.26 -46.07 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.607 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 40.6 t80 -116.37 159.44 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -159.29 87.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.95 -177.61 24.98 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -111.94 44.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.72 149.56 40.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.432 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 31.0 mt -94.22 30.93 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.22 141.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.607 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 79.5 t80 -147.79 158.84 44.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.1 m -117.49 96.43 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.62 146.89 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.79 176.53 8.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.457 ' O ' HD23 ' A' ' 71' ' ' LEU . 3.3 m-20 57.08 71.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 70' ' ' ASN . 41.7 mt -129.53 -171.99 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -123.12 148.86 45.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 147.29 49.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.76 77.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 76' ' ' LYS . 72.9 m -150.22 167.2 27.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 75' ' ' THR . 1.0 OUTLIER -124.1 129.77 51.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -132.88 144.55 50.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -96.82 132.36 42.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 46' ' ' MET . 54.1 m-85 -131.42 145.98 52.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.426 ' HD2' HD11 ' A' ' 82' ' ' ILE . 7.3 ptpt -141.69 135.56 29.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.7 p -88.29 127.57 41.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.474 HD12 ' HG3' ' A' ' 45' ' ' GLU . 7.5 mt -119.1 115.93 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -91.95 128.74 37.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -137.77 161.23 37.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 14.9 t30 -123.89 152.02 42.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -46.25 -25.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.72 -47.32 17.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.64 173.78 44.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.95 161.08 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.9 -166.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -76.15 154.18 84.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.465 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.99 163.91 34.4 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.97 168.39 10.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.07 130.55 10.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 80' ' ' LYS . 45.7 t -79.0 123.52 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.7 m -104.91 168.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 7.0 tt0 -132.27 154.11 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.558 ' CD1' HD22 ' A' ' 16' ' ' LEU . 30.0 m-85 -152.82 169.73 22.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.1 m -132.22 146.15 51.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.1 p -91.72 -178.31 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 108.259 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.3 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.3 ttt -58.33 116.42 14.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.07 163.89 34.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.12 136.88 37.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.91 146.59 5.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 127.56 10.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.529 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.4 m -84.68 -175.04 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.0 tp -138.51 89.53 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 30.9 p -62.07 -60.25 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.3 OUTLIER -125.98 129.25 48.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.259 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.698 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -105.57 114.44 28.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.516 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -94.22 172.42 31.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.2 mt -75.58 -49.07 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -115.87 28.55 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.516 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.1 p-90 -165.77 155.6 12.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 71' ' ' LEU . 27.0 mt -141.14 119.85 12.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.83 100.88 13.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.53 HD12 HD21 ' A' ' 44' ' ' LEU . 23.9 mt -93.27 160.8 14.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.529 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -146.6 115.59 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.643 ' CG ' HG21 ' A' ' 81' ' ' VAL . 42.0 p90 -122.55 166.84 14.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -128.58 179.54 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.598 ' OG ' ' CE2' ' A' ' 84' ' ' TYR . 59.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.489 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.9 m-85 -124.18 130.74 53.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.46 HD11 ' CD2' ' A' ' 84' ' ' TYR . 13.1 mt -96.59 116.38 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.53 HD21 HD12 ' A' ' 26' ' ' LEU . 24.5 tp -81.78 111.07 17.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -96.22 165.49 12.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.487 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.76 150.78 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.6 28.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 -46.43 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 52.7 t80 -118.6 163.86 16.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -166.47 83.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.3 175.6 23.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.25 39.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.98 160.36 19.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.459 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 9.2 mt -107.87 24.34 13.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.17 140.75 9.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.599 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 87.9 t80 -151.19 155.49 38.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 m -115.65 104.36 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 93.0 t -68.75 146.1 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.5 176.95 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 59.92 66.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.477 HD13 HD12 ' A' ' 24' ' ' LEU . 39.1 mt -125.78 -174.73 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -125.79 144.02 50.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 149.9 47.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.46 77.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 76' ' ' LYS . 87.9 m -150.19 171.57 16.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.379 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.485 ' N ' HG22 ' A' ' 75' ' ' THR . 0.1 OUTLIER -120.93 121.95 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -135.55 155.46 50.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 79' ' ' PHE . 5.2 mtmt -114.07 171.08 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.608 ' O ' HG22 ' A' ' 96' ' ' VAL . 96.5 m-85 -163.18 133.68 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -134.01 125.29 27.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.643 HG21 ' CG ' ' A' ' 28' ' ' TRP . 2.1 p -80.34 128.3 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 7.1 mt -119.46 112.83 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -93.28 125.08 37.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.598 ' CE2' ' OG ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -132.89 161.55 33.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 88' ' ' GLY . 3.4 t30 -123.83 151.91 42.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -43.33 -26.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 85' ' ' ASN . 44.4 mt-10 -73.93 -47.53 37.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' ASN . . . -168.36 -157.83 11.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.16 149.28 52.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.75 -172.39 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -73.18 153.83 90.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -74.98 162.29 37.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.7 t -91.76 172.95 8.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.35 128.18 30.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.427 HG22 ' HB3' ' A' ' 80' ' ' LYS . 77.8 t -70.7 118.32 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 79' ' ' PHE . 34.5 m -100.56 160.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.565 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 mp0 -117.0 155.26 29.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 16.2 m-85 -156.08 166.56 33.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 m -140.48 147.9 40.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.4 p -86.61 178.24 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 108.316 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -59.87 -175.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 ttt -68.27 115.79 32.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.479 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 165.86 30.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.79 138.23 35.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.93 147.48 0.89 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.23 37.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.51 ' CG2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -110.76 164.89 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.984 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.5 tp -116.98 91.54 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -59.42 -58.14 9.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.46 130.5 44.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.984 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -102.68 120.33 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -102.91 169.02 18.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.0 mt -73.0 -54.92 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.598 0.822 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -111.1 24.81 12.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.408 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 67.7 p-90 -159.44 154.11 24.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 107.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' CD1' HD13 ' A' ' 71' ' ' LEU . 49.2 mt -137.78 115.48 11.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.99 100.7 12.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.96 HD12 HD21 ' A' ' 44' ' ' LEU . 15.4 mt -88.67 173.86 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.443 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 1.3 tt0 -164.83 125.97 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.438 ' CZ3' HD13 ' A' ' 44' ' ' LEU . 46.3 p90 -133.95 164.01 28.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 m -127.77 171.03 12.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 5.6 m-85 -131.75 135.08 46.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.4 mt -97.19 118.43 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.96 HD21 HD12 ' A' ' 26' ' ' LEU . 26.9 tp -86.55 100.01 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.822 ' OE1' HD12 ' A' ' 82' ' ' ILE . 20.5 mp0 -92.65 160.33 15.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 9.9 ttp -160.45 134.16 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.56 19.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.23 -39.61 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.56 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 57.9 t80 -120.12 160.22 23.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -166.69 84.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.91 -177.11 22.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -107.93 44.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.479 ' CG ' ' HH ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -118.41 153.86 33.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 mt -101.75 30.29 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.22 143.78 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 92.2 t80 -156.31 152.7 27.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.4 m -114.24 110.23 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.1 t -76.86 142.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.223 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -128.75 176.3 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 62.89 68.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 24' ' ' LEU . 68.1 mt -127.39 -174.44 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -128.97 142.04 51.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.249 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 147.24 30.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.424 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.3 OUTLIER 39.5 78.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.027 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.7 m -147.88 147.06 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.69 138.3 39.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -145.32 146.33 31.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.402 ' CG ' ' HG2' ' A' ' 97' ' ' GLU . 23.6 mtpt -105.32 137.4 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 91.5 m-85 -132.5 145.1 50.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.684 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -137.63 130.84 30.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.425 HG21 ' CB ' ' A' ' 28' ' ' TRP . 1.0 OUTLIER -90.89 124.32 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.822 HD12 ' OE1' ' A' ' 45' ' ' GLU . 7.1 mt -118.54 120.68 64.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.479 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -96.3 121.11 37.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -129.8 162.5 28.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.408 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 53.2 m-20 -123.51 149.85 44.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.8 t -46.82 -24.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -80.62 -47.42 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.84 170.1 41.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 3.7 ptmm? -103.68 166.7 10.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.51 -163.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -82.5 152.73 67.54 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.475 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -75.01 162.47 37.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 t -100.15 175.41 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.21 128.85 35.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 80' ' ' LYS . 63.1 t -77.39 130.46 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -113.9 164.11 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -125.63 157.18 37.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 25.9 m-85 -154.04 158.46 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 m -121.71 152.84 38.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 74' ' ' SER . 8.9 p -86.09 175.8 8.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 108.304 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -169.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 ttp -77.12 122.1 85.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 170.73 19.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.93 136.88 33.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.484 ' HB2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -47.18 144.46 4.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.41 9.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 16' ' ' LEU . 1.1 m -82.55 -172.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.1 tp -134.48 88.25 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.0 p -61.23 -59.66 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.5 135.85 52.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.681 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -115.67 118.07 32.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.85 -166.55 30.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 73' ' ' ARG . 8.0 mt -93.6 -43.71 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -121.98 21.14 10.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.484 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 68.2 p-90 -153.55 155.41 36.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 71' ' ' LEU . 30.7 mt -140.64 119.49 12.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.6 100.61 12.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.77 154.35 18.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.402 ' HB3' HG22 ' A' ' 15' ' ' VAL . 32.4 tt0 -137.72 131.3 31.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.583 ' CG ' HG21 ' A' ' 81' ' ' VAL . 42.9 p90 -131.88 163.9 27.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -125.44 178.34 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.494 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 50.0 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.431 ' CE1' HD23 ' A' ' 64' ' ' LEU . 5.1 m-85 -130.48 131.82 45.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.2 mt -100.4 134.83 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.427 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 19.7 tp -104.57 108.11 19.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -97.61 164.35 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.66 135.39 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.66 15.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.774 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.69 -34.75 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.605 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 46.3 t80 -124.03 163.77 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -166.25 82.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.06 -175.98 22.72 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -111.79 42.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.65 154.91 24.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.431 HD23 ' CE1' ' A' ' 42' ' ' TYR . 16.0 mt -101.83 29.41 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.28 143.35 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.605 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 91.3 t80 -152.97 159.0 42.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -122.55 106.04 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.8 t -69.91 151.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -142.26 170.07 16.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 65.66 60.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.441 HD13 HD12 ' A' ' 24' ' ' LEU . 61.8 mt -120.2 -168.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.73 150.49 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.448 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -73.33 140.12 46.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.45 77.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.8 m -149.17 156.77 42.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -109.71 115.73 30.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -123.48 147.69 46.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.519 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -99.69 160.5 14.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.471 ' O ' HG22 ' A' ' 96' ' ' VAL . 97.8 m-85 -158.79 141.95 14.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -146.4 127.52 14.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.583 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.1 p -83.07 130.12 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 12.8 mt -120.78 114.35 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.18 117.25 28.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.494 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 0.3 OUTLIER -126.43 162.5 25.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 88' ' ' GLY . 1.8 m-20 -123.7 150.71 43.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t -42.19 -27.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 85' ' ' ASN . 1.5 mt-10 -73.67 -47.85 36.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.88 -155.72 9.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.51 157.11 45.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.55 -164.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -77.94 151.92 79.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.6 Cg_endo -74.96 165.4 31.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.769 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.7 t -92.41 175.81 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.57 116.12 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.519 HG11 ' CD ' ' A' ' 78' ' ' LYS . 88.1 t -57.08 131.55 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 13' ' ' SER . 35.6 m -112.38 168.27 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -134.03 136.14 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -139.67 171.44 14.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -138.71 148.76 44.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.1 p -80.51 179.66 7.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 108.325 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -66.75 -178.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.4 ttt -62.67 119.6 52.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.476 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 -170.53 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.1 138.07 39.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.25 144.29 4.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.414 ' O ' HG21 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 135.29 18.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 27' ' ' GLN . 2.3 m -90.07 -177.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.6 tp -136.37 86.63 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.557 HG23 ' HB2' ' A' ' 27' ' ' GLN . 46.8 p -55.85 -57.05 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.89 137.31 44.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.745 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -112.07 115.16 28.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -94.28 -173.33 38.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.419 HG23 ' CB ' ' A' ' 73' ' ' ARG . 38.3 mt -87.49 -43.54 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 p -121.41 24.01 10.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.501 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 60.4 p-90 -159.23 155.87 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 19' ' ' ALA . 71.6 mt -141.74 115.73 9.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.81 101.9 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.604 HD12 HD21 ' A' ' 44' ' ' LEU . 19.6 mt -94.69 162.61 13.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.662 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -150.48 111.28 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.465 ' CZ3' HD13 ' A' ' 44' ' ' LEU . 39.4 p90 -115.01 164.0 14.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 107.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -124.7 165.53 17.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.401 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 15.1 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 4.0 m-85 -142.08 127.77 19.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.9 mt -99.74 121.1 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.604 HD21 HD12 ' A' ' 26' ' ' LEU . 28.9 tp -88.75 114.7 25.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.658 ' CD ' HD12 ' A' ' 82' ' ' ILE . 31.0 mp0 -108.02 156.83 18.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 21.1 ttp -152.12 127.91 10.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 4.9 mmmt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.04 141.02 26.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.35 -43.59 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.6 t80 -115.36 154.11 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.35 84.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.04 171.89 30.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.55 36.3 1.39 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 0.734 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.22 157.2 17.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.5 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 13.5 mt -104.09 27.48 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -175.36 141.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 48.4 t80 -145.23 153.46 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 m -104.84 94.91 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 58.8 t -62.04 142.72 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -134.76 167.42 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 69.89 64.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.417 HD13 HD12 ' A' ' 24' ' ' LEU . 43.2 mt -125.45 -175.67 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -119.05 148.15 43.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' CB ' HG23 ' A' ' 21' ' ' ILE . 11.6 ptt-85 -70.09 147.21 50.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.0 p 39.63 67.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -143.83 165.02 28.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.421 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' N ' ' CG2' ' A' ' 75' ' ' THR . 0.2 OUTLIER -116.98 145.47 43.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -147.19 146.76 29.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -98.94 142.17 30.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 92.3 m-85 -140.45 149.37 42.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.692 ' HB3' HG22 ' A' ' 95' ' ' VAL . 5.4 ptpt -146.48 130.4 17.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.435 HG13 ' HG2' ' A' ' 11' ' ' PRO . 1.1 p -89.85 130.29 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.658 HD12 ' CD ' ' A' ' 45' ' ' GLU . 8.5 mt -120.64 118.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.476 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -92.09 116.19 28.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.494 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -123.39 162.28 23.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.9 OUTLIER -123.71 150.61 44.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.4 t -42.7 -26.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 85' ' ' ASN . 2.6 mt-10 -74.09 -47.64 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.78 -155.8 9.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -130.45 153.48 48.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -162.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -81.26 152.79 71.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.462 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.99 159.31 41.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.68 -179.71 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.068 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.73 129.21 40.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.692 HG22 ' HB3' ' A' ' 80' ' ' LYS . 45.7 t -78.37 122.05 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 14' ' ' PRO . 35.5 m -101.16 162.78 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 144.49 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 19.5 m-85 -145.2 170.72 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -134.35 146.73 50.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.358 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 p -78.33 -179.76 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.76 172.17 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.4 ttt -58.18 115.57 11.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.503 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.06 164.0 34.12 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.89 135.92 35.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.34 147.18 1.03 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.35 31.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.523 ' CG2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -108.98 165.14 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.014 HD21 ' HB2' ' A' ' 19' ' ' ALA . 5.9 tp -114.06 114.53 26.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.0 p -80.92 -48.38 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.69 129.11 22.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.014 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -101.67 117.84 35.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -97.73 177.33 31.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.6 mt -80.26 -43.77 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.8 p -123.46 27.6 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.436 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 64.7 p-90 -161.14 153.1 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.542 HD21 HG22 ' A' ' 100' ' ' THR . 41.3 mt -138.42 112.36 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.13 101.85 13.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.732 HD12 HD11 ' A' ' 44' ' ' LEU . 7.6 mt -88.88 175.02 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' VAL . 1.4 tt0 -158.47 123.88 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.1 p90 -133.75 161.2 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 108.035 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -132.2 166.14 22.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.458 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -145.6 125.15 13.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.524 HD11 ' CD2' ' A' ' 84' ' ' TYR . 13.7 mt -100.73 124.99 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.732 HD11 HD12 ' A' ' 26' ' ' LEU . 20.4 tp -92.47 117.49 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' HG3' HD12 ' A' ' 82' ' ' ILE . 10.2 mt-10 -104.46 164.37 11.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -161.14 135.36 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 126.07 9.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -34.76 7.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 72.6 t80 -124.22 152.51 42.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.58 83.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.76 -171.5 18.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -110.42 49.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.09 154.99 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -105.61 28.57 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.9 143.2 3.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 87.8 t80 -151.09 158.99 44.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 m -120.95 100.01 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.351 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.77 145.65 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -138.11 163.48 31.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 72.42 62.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.5 HD13 HD12 ' A' ' 24' ' ' LEU . 51.2 mt -120.06 -171.3 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -126.61 150.81 48.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 148.89 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 81.1 p 39.58 71.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.3 m -147.94 160.4 42.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.16 152.29 29.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -154.68 141.12 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -95.71 144.35 26.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -139.56 146.06 39.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.445 ' HD2' ' CB ' ' A' ' 92' ' ' PRO . 0.3 OUTLIER -146.99 124.76 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 p -80.17 133.55 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.47 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 13.0 mt -123.38 113.01 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.503 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.67 122.79 33.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -131.67 159.94 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 5.0 t-20 -123.94 153.45 41.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -46.92 -24.78 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -76.44 -47.4 23.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.33 -174.67 37.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 153.2 32.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.53 -171.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.936 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -75.51 154.9 85.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.97 160.04 40.73 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -92.62 167.3 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -45.8 128.3 8.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.235 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 80' ' ' LYS . 88.7 t -71.98 130.83 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -116.54 165.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -130.15 157.21 43.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -154.24 158.95 41.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -120.88 148.9 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.542 HG22 HD21 ' A' ' 24' ' ' LEU . 24.5 p -92.89 -175.99 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.253 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.65 170.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.7 ttt -57.27 116.92 15.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.51 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.04 169.85 21.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.86 136.48 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.57 145.93 7.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 126.45 9.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.519 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.4 m -80.74 -170.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.6 tp -138.62 89.85 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.8 p -60.63 -60.18 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.55 129.17 40.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.629 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -104.49 116.41 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.18 -175.65 37.67 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 mt -86.31 -43.86 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 p -121.87 23.32 10.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.427 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.51 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 66.4 p-90 -156.13 153.92 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 108.026 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 HD13 ' A' ' 71' ' ' LEU . 58.0 mt -139.1 122.08 16.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.03 101.99 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.843 HD12 HD21 ' A' ' 44' ' ' LEU . 65.2 mt -97.61 160.97 13.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -144.23 114.13 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.739 ' CG ' HG21 ' A' ' 81' ' ' VAL . 41.9 p90 -118.54 159.72 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 107.96 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.2 175.61 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -140.67 120.94 13.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.547 HG23 ' O ' ' A' ' 59' ' ' TYR . 88.3 mt -97.38 111.41 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.843 HD21 HD12 ' A' ' 26' ' ' LEU . 18.8 tp -68.89 109.96 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' OE1' ' CD1' ' A' ' 82' ' ' ILE . 4.0 mt-10 -94.54 164.06 13.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.86 133.28 4.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 11.1 mmmt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -74.99 153.43 41.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.67 -59.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.56 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 46.7 t80 -105.69 151.95 23.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.6 85.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.2 172.13 28.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.1 47.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -119.52 145.85 45.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.422 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 29.6 mt -93.36 35.82 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -178.0 134.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 47.6 t80 -145.58 155.83 43.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 m -113.35 94.48 4.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 17.4 t -60.38 132.8 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.93 167.19 12.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.943 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.6 m-20 65.07 84.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.943 HD23 ' O ' ' A' ' 70' ' ' ASN . 21.6 mt -142.82 -176.74 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -116.68 151.74 35.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -77.35 151.86 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.78 70.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.8 m -150.21 165.07 34.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.11 149.38 42.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -148.87 153.82 38.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -109.0 128.29 54.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -125.7 161.0 28.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.555 ' HD2' HD11 ' A' ' 82' ' ' ILE . 3.2 ptpt -156.99 135.54 11.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.739 HG21 ' CG ' ' A' ' 28' ' ' TRP . 2.2 p -92.63 113.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.555 HD11 ' HD2' ' A' ' 80' ' ' LYS . 5.4 mt -104.74 123.06 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -100.58 114.76 28.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.484 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -123.25 161.96 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.416 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 48.5 t30 -123.43 149.6 44.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.36 -24.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 110.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -47.33 22.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -165.44 -166.68 24.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.12 179.14 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.29 -168.0 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -76.95 145.53 74.14 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -75.0 158.12 42.4 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.6 p -81.29 168.59 18.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.441 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -56.6 117.04 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.5 t -57.38 116.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 94' ' ' GLU . 35.5 m -100.58 164.0 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -129.92 139.09 51.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 16.2 m-85 -145.24 161.45 39.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -128.0 152.12 48.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.3 p -88.54 -176.19 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.313 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.47 170.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.97 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.422 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 11.9 ttt -65.7 125.11 89.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.95 -171.3 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.8 137.48 42.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.61 146.1 0.77 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.983 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.4 9.93 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 27' ' ' GLN . 1.6 m -82.29 -176.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.7 tp -139.61 99.74 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.0 p -65.55 -54.77 23.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.01 142.94 47.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.701 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -112.04 114.29 27.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.86 166.75 25.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.7 mt -68.54 -46.21 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -121.31 15.38 11.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 62.6 p-90 -145.33 153.54 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD12 HD13 ' A' ' 71' ' ' LEU . 77.0 mt -141.59 116.5 9.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.51 106.28 18.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.468 HD12 HD21 ' A' ' 44' ' ' LEU . 19.2 mt -99.83 169.24 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.616 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -154.54 117.18 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.524 ' CG ' HG21 ' A' ' 81' ' ' VAL . 37.4 p90 -126.57 160.1 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.65 176.17 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 5.2 m-85 -143.63 127.1 16.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 59' ' ' TYR . 12.6 mt -98.43 117.35 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.468 HD21 HD12 ' A' ' 26' ' ' LEU . 22.7 tp -81.4 112.86 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -97.4 163.6 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.237 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.54 128.7 5.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 6.3 mmtp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.03 147.67 34.14 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -125.36 -50.98 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.536 ' O ' HG23 ' A' ' 43' ' ' ILE . 42.5 t80 -115.64 158.32 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -158.54 83.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.19 171.05 30.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 36.29 1.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.5 152.79 23.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.73 30.4 4.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.47 137.95 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 71.0 t80 -148.44 159.06 44.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.7 m -118.57 93.63 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.681 HG12 HD21 ' A' ' 71' ' ' LEU . 69.4 t -61.56 108.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -99.51 -176.25 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.764 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.2 m120 53.91 78.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 70' ' ' ASN . 22.1 mt -138.0 -177.35 4.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -119.82 161.27 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 150.09 24.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.95 70.6 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.157 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 76' ' ' LYS . 85.4 m -150.29 171.69 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.472 ' N ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -120.65 146.88 45.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -150.2 142.3 24.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.509 ' CD ' HG11 ' A' ' 95' ' ' VAL . 5.5 ttmt -95.23 150.64 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -151.6 138.65 19.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HD2' HD11 ' A' ' 82' ' ' ILE . 2.0 pttt -140.09 133.0 29.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.524 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -90.57 114.18 27.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 8.4 mt -106.48 117.79 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -93.36 117.21 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.17 163.07 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.41 152.18 41.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.3 m -50.12 -22.07 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.43 -45.41 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.7 -166.31 25.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.94 178.08 4.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.19 -167.06 1.93 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -80.32 145.58 60.18 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.0 156.97 43.02 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.422 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 17.8 m -88.23 175.91 7.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.85 127.85 32.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.509 HG11 ' CD ' ' A' ' 78' ' ' LYS . 71.6 t -71.82 116.38 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.3 m -103.71 177.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -143.48 154.62 43.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.589 ' CD1' HD22 ' A' ' 16' ' ' LEU . 23.6 m-85 -149.3 156.07 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 m -123.97 163.94 20.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 20' ' ' GLY . 43.0 p -111.36 175.1 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 108.28 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.66 168.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 8.1 ttt -56.4 127.08 71.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.529 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.94 -179.03 4.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.19 138.58 32.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.66 144.99 2.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 127.98 11.11 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 27' ' ' GLN . 1.9 m -85.41 -176.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.721 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.7 tp -141.27 103.86 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.491 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 41.1 p -73.24 -51.79 16.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 134.17 35.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.721 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -111.43 117.44 33.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.515 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -93.97 -176.14 39.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.103 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.5 mt -83.5 -41.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 p -124.88 21.26 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.515 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 65.6 p-90 -153.97 154.24 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD12 HD13 ' A' ' 71' ' ' LEU . 37.7 mt -143.27 123.85 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.48 101.48 12.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 11.2 mt -96.57 158.29 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.674 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.6 tt0 -138.68 121.38 16.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -132.22 158.98 40.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.025 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.43 159.66 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.495 ' OH ' ' CB ' ' A' ' 30' ' ' LYS . 21.3 m-85 -149.88 135.52 18.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.461 HD11 ' CD2' ' A' ' 84' ' ' TYR . 15.2 mt -102.43 116.35 45.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.2 tp -87.5 108.67 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.26 160.15 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.552 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 19.6 ttp -153.86 124.34 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 6.6 mmmt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -74.99 148.39 35.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 -48.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.527 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 69.4 t80 -114.61 157.4 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -164.23 78.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.99 178.15 26.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -99.28 51.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -121.09 154.49 36.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 mt -105.27 25.66 10.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.085 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.68 140.41 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.527 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 88.3 t80 -147.82 157.99 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.8 m -113.33 94.53 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.784 HG12 HD21 ' A' ' 71' ' ' LEU . 75.6 t -64.66 97.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -86.57 175.39 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.941 ' O ' HD23 ' A' ' 71' ' ' LEU . 20.7 t30 60.7 83.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.941 HD23 ' O ' ' A' ' 70' ' ' ASN . 20.4 mt -142.75 -178.17 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -117.86 140.83 49.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 136.64 58.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.86 76.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.5 m -148.54 138.98 22.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.12 150.16 33.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.545 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 2.7 m-85 -155.5 133.69 11.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -95.77 136.73 35.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.552 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 67.5 m-85 -139.51 143.93 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.485 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -141.56 132.16 25.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.529 HG13 ' HG2' ' A' ' 11' ' ' PRO . 1.1 p -89.41 132.3 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.438 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 9.2 mt -124.22 116.79 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -91.06 123.4 34.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -131.64 162.12 31.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.8 OUTLIER -123.71 150.82 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.74 -26.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 85' ' ' ASN . 62.1 mt-10 -73.85 -47.63 36.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.95 -156.42 10.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 156.67 45.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.59 -164.1 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -80.24 154.03 74.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.97 164.76 32.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.769 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.452 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 8.6 t -97.71 179.33 4.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.3 124.15 17.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 80' ' ' LYS . 90.2 t -72.55 118.23 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 32.5 m -102.17 179.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -146.89 141.39 26.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 11.0 m-85 -141.4 154.03 45.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -117.71 148.23 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.4 p -83.52 176.36 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.324 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.64 179.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.9 ttt -63.54 116.71 28.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.03 168.56 24.54 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.43 142.53 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.509 ' HB2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -51.0 145.53 11.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.024 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.75 12.64 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.553 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.3 m -84.57 -174.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.408 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 2.9 tp -139.13 92.0 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 27' ' ' GLN . 32.4 p -66.28 -59.06 4.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.82 137.63 52.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.8 119.52 39.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -96.98 169.12 25.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' CG1' ' HB2' ' A' ' 101' ' ' CYS . 74.1 mt -73.49 -45.52 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 p -121.79 24.17 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.9 p-90 -157.47 158.81 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.621 HD21 HG22 ' A' ' 100' ' ' THR . 52.5 mt -140.92 128.5 21.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -104.92 100.14 9.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.707 HD12 HD21 ' A' ' 44' ' ' LEU . 29.9 mt -94.68 168.17 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -148.57 116.99 6.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.527 ' CG ' HG21 ' A' ' 81' ' ' VAL . 41.9 p90 -123.45 166.29 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.08 164.71 24.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 1.4 pttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.495 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 3.9 m-85 -136.39 134.05 37.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mt -96.35 120.2 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.707 HD21 HD12 ' A' ' 26' ' ' LEU . 38.5 tp -90.11 108.25 19.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -96.68 162.46 13.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 18.4 ttp -155.51 132.82 10.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.247 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.64 19.34 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.48 -42.1 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 53.5 t80 -113.04 164.07 13.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -174.63 84.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.2 -178.12 23.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.08 39.04 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.55 151.58 37.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 42.2 mt -93.11 27.19 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.64 156.36 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 25.0 t80 -157.04 158.83 37.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.4 m -115.8 94.75 4.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.63 146.5 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.35 169.26 17.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.574 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.5 m-20 62.93 72.71 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 70' ' ' ASN . 28.8 mt -133.7 -168.24 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -130.92 148.11 52.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 149.63 47.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.69 71.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.1 m -150.3 144.86 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.18 150.29 20.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -153.95 146.25 23.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.431 ' HB3' ' CG1' ' A' ' 95' ' ' VAL . 33.0 mtpt -100.69 131.85 46.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 26.9 m-85 -123.64 155.04 38.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' HB3' HG22 ' A' ' 95' ' ' VAL . 2.0 pttp -152.69 129.39 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.9 p -87.05 123.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.426 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 12.3 mt -114.77 112.67 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.434 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.39 130.26 36.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.509 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -139.79 160.51 39.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 1.0 OUTLIER -123.78 152.03 42.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -44.96 -26.09 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 85' ' ' ASN . 1.3 mt-10 -77.15 -47.0 21.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.17 175.09 46.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -105.53 163.53 12.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.753 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.44 -165.08 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -77.64 152.65 80.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.95 163.08 36.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 t -93.61 -176.56 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.38 129.97 43.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 78' ' ' LYS . 83.2 t -73.83 118.48 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 13' ' ' SER . 24.7 m -101.02 169.2 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.555 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.8 tt0 -131.68 152.43 50.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.555 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 19.7 m-85 -151.69 176.77 11.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 m -138.74 149.5 45.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.621 HG22 HD21 ' A' ' 24' ' ' LEU . 43.3 p -96.99 162.97 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.421 ' HB2' ' CG1' ' A' ' 21' ' ' ILE . 1.4 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.288 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.19 174.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 ttt -69.09 122.45 85.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.486 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.6 Cg_endo -74.93 173.17 14.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.99 138.3 31.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.25 145.51 1.83 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 125.73 9.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.798 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 27' ' ' GLN . 2.5 m -81.83 -178.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.68 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.1 tp -134.07 88.49 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -58.96 -59.15 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.429 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.1 133.51 44.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.68 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -105.8 118.1 35.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.67 176.32 33.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.2 mt -78.05 -43.0 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 0.744 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.5 p -125.12 22.0 7.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.4 p-90 -153.91 155.9 36.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD21 HG22 ' A' ' 100' ' ' THR . 58.3 mt -142.63 117.95 10.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.99 100.69 13.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.531 HD12 HD21 ' A' ' 44' ' ' LEU . 56.9 mt -94.59 161.82 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.487 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -143.74 112.57 6.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.539 ' CG ' HG21 ' A' ' 81' ' ' VAL . 40.6 p90 -114.58 160.59 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 107.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 m -119.94 171.75 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.49 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 7.7 m-85 -133.59 129.56 37.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.7 mt -97.77 122.66 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.531 HD21 HD12 ' A' ' 26' ' ' LEU . 23.3 tp -90.02 108.06 19.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -94.2 160.47 14.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.5 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 29.0 ttp -161.78 121.42 2.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 15.6 mmtt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.1 Cg_endo -75.02 148.93 35.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -46.27 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.583 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 45.5 t80 -115.02 155.94 26.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.53 80.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.47 171.83 25.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.48 44.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.93 151.61 37.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.49 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 18.8 mt -98.06 31.28 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.51 145.13 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 70.4 t80 -154.43 159.08 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -118.21 104.29 10.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.32 149.33 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -143.62 165.53 27.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 69.68 60.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 mt -121.44 -176.24 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -122.44 149.16 44.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 137.11 54.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.01 79.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -149.75 132.71 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 127.14 32.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.5 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 7.5 m-85 -136.21 149.9 48.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -111.78 151.17 29.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 46' ' ' MET . 97.0 m-85 -150.31 137.99 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HB3' HG22 ' A' ' 95' ' ' VAL . 1.2 ptpt -140.24 127.91 21.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.1 p -82.58 132.72 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.46 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 4.6 mt -124.17 114.61 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -92.68 115.23 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -122.95 161.09 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER -123.7 151.63 42.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -25.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -78.06 -47.12 19.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.56 174.54 45.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -104.12 157.5 17.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.81 -168.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.952 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -74.07 150.37 87.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.46 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.0 159.17 41.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 t -90.49 159.88 16.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -40.92 135.93 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.426 HG11 ' CD ' ' A' ' 78' ' ' LYS . 65.2 t -79.42 124.4 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.3 m -107.99 169.31 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.41 145.87 50.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -145.08 174.13 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 100' ' ' THR . 4.3 m -139.22 166.53 24.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.443 HG22 HD21 ' A' ' 24' ' ' LEU . 58.2 p -115.64 167.14 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.279 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -179.58 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.054 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.3 ttt -66.48 122.37 81.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.56 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.01 172.17 16.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.17 136.52 33.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.02 143.64 4.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.607 ' O ' HG21 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.97 130.09 12.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.497 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.8 m -89.5 -174.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.826 HD21 ' HB2' ' A' ' 19' ' ' ALA . 5.2 tp -133.89 88.46 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.455 HG23 ' HB2' ' A' ' 27' ' ' GLN . 43.8 p -55.98 -60.44 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.01 129.51 34.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.826 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -104.64 117.6 34.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.519 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.95 -169.99 35.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.142 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 101' ' ' CYS . 11.5 mt -89.47 -43.21 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.8 p -123.08 30.44 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.519 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.6 p-90 -164.77 154.96 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.962 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD12 HD13 ' A' ' 71' ' ' LEU . 48.6 mt -141.39 115.33 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.68 99.96 12.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.995 HD12 HD21 ' A' ' 44' ' ' LEU . 23.1 mt -93.78 161.57 14.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.497 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -144.92 117.89 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.691 ' CG ' HG21 ' A' ' 81' ' ' VAL . 41.1 p90 -124.46 159.57 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -125.37 166.19 17.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 3.3 m-85 -134.88 133.68 39.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.8 mt -99.62 121.34 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.995 HD21 HD12 ' A' ' 26' ' ' LEU . 28.1 tp -88.37 102.42 14.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.68 ' OE1' HD12 ' A' ' 82' ' ' ILE . 37.4 mp0 -95.46 160.19 14.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.558 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.93 133.63 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.1 Cg_endo -75.04 156.56 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.569 1.826 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.46 -52.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.2 t80 -110.18 148.22 32.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -150.42 79.69 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.44 170.7 26.05 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -97.6 41.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -114.25 150.77 33.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.465 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 23.4 mt -97.37 26.66 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -167.22 143.16 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 74.1 t80 -151.59 157.98 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -115.97 99.25 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 49.1 t -62.35 143.44 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.26 170.95 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.503 ' O ' HD23 ' A' ' 71' ' ' LEU . 3.9 m-80 60.11 72.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.508 HD13 HD12 ' A' ' 24' ' ' LEU . 39.9 mt -131.23 -169.01 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.29 144.37 50.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.65 149.45 50.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.68 78.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.5 m -148.03 166.1 28.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.42 116.35 24.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -125.41 147.2 49.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.594 ' HD2' HG11 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -94.88 166.68 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 46' ' ' MET . 79.9 m-85 -162.93 149.91 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.424 ' HB3' HG22 ' A' ' 95' ' ' VAL . 6.8 pttt -153.92 131.98 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.691 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -90.42 131.41 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.68 HD12 ' OE1' ' A' ' 45' ' ' GLU . 5.8 mt -123.35 120.51 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.497 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -92.68 114.67 27.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.508 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -123.08 160.68 25.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 88' ' ' GLY . 59.0 m-20 -123.85 152.68 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.5 -27.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 85' ' ' ASN . 47.8 mt-10 -72.57 -47.18 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -171.81 -155.71 11.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -128.35 155.15 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.08 -164.33 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -76.0 149.95 83.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.471 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -74.96 162.98 36.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -95.67 175.96 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.05 133.29 43.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.594 HG11 ' HD2' ' A' ' 78' ' ' LYS . 99.0 t -80.13 125.25 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 14' ' ' PRO . 35.5 m -109.25 164.02 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -130.38 146.12 51.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 19.1 m-85 -148.38 168.72 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 100' ' ' THR . 4.2 m -131.82 166.61 21.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.49 HG22 HD21 ' A' ' 24' ' ' LEU . 12.6 p -111.56 175.95 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.67 159.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -47.68 141.75 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.59 -162.29 28.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -80.81 119.58 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.984 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.09 149.64 37.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.24 -156.25 15.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.6 19.3 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.27 116.51 47.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 168.96 23.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.48 136.95 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.48 146.63 3.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.53 16.72 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.781 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.52 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.5 m -89.12 -175.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.7 tp -133.71 86.4 2.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.457 HG23 ' HB2' ' A' ' 27' ' ' GLN . 44.6 p -55.13 -60.91 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.371 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.25 132.72 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -107.84 114.99 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.11 -165.34 35.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.445 HG21 ' HB2' ' A' ' 103' ' ' ASP . 23.5 mt -93.46 -48.37 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.792 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 p -119.33 31.92 6.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.525 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 63.3 p-90 -165.61 154.49 11.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.046 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.0 mt -142.04 120.57 12.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.75 100.36 12.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.087 HD12 HD21 ' A' ' 44' ' ' LEU . 26.7 mt -94.26 160.0 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -143.12 124.48 14.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CG ' HG21 ' A' ' 81' ' ' VAL . 40.9 p90 -130.51 161.23 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -124.22 170.02 11.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 4.8 ptmt -78.95 160.88 70.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 168.2 25.36 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 m -76.3 145.05 39.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 41.44 80.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 p -62.61 159.32 43.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -61.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.7 p -172.82 176.07 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.91 109.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.21 156.26 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.78 109.77 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 41' ' ' SER . 32.3 mt -101.97 162.63 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.449 ' N ' ' CG2' ' A' ' 40' ' ' ILE . 8.5 p -115.82 151.09 35.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.554 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 4.2 m-85 -140.06 134.45 31.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 59' ' ' TYR . 7.3 mt -100.72 119.69 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.087 HD21 HD12 ' A' ' 26' ' ' LEU . 24.1 tp -83.34 117.35 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -102.33 165.14 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.489 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.71 134.64 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -128.21 117.95 22.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.72 68.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.681 ' HG3' HG23 ' A' ' 50' ' ' THR . 5.1 pt-20 -175.94 -54.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.681 HG23 ' HG3' ' A' ' 49' ' ' GLU . 54.4 p -74.62 157.23 35.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.97 87.63 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.41 57.83 4.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -102.38 -53.59 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.43 161.89 11.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.506 ' CD2' ' HE3' ' A' ' 80' ' ' LYS . 10.4 m-85 -76.86 151.51 35.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -121.49 148.71 50.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.502 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.0 144.67 30.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.802 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' CD ' ' HB3' ' A' ' 46' ' ' MET . 0.1 OUTLIER -122.21 -53.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.603 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 46.9 t80 -113.84 145.22 41.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -149.09 83.83 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.98 -166.09 10.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -119.0 42.83 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.37 148.44 43.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.554 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 41.7 mt -93.11 31.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.93 149.81 3.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.603 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 73.3 t80 -156.35 154.4 30.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m -114.38 95.6 5.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 t -56.57 150.88 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -140.1 171.29 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.475 ' O ' HD23 ' A' ' 71' ' ' LEU . 22.8 t30 60.54 75.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 70' ' ' ASN . 33.3 mt -130.65 -173.22 3.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -124.2 140.57 52.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' NH1' ' OD2' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -60.92 147.57 42.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER 38.96 68.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.6 m -144.6 153.09 41.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 144.97 33.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -147.08 154.66 41.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -100.98 157.2 16.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 46' ' ' MET . 69.6 m-85 -159.58 139.36 11.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.506 ' HE3' ' CD2' ' A' ' 55' ' ' PHE . 13.2 ptpt -142.44 130.25 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.617 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -78.16 131.46 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 8.0 mt -123.11 113.35 37.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.35 129.99 36.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.472 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -141.94 163.42 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -123.6 160.18 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -20.78 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.71 -47.19 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.42 -158.16 11.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.47 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -133.08 164.33 27.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.45 -165.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -76.99 152.74 82.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.03 164.97 32.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.407 ' CB ' HG12 ' A' ' 81' ' ' VAL . 8.7 t -95.36 176.68 6.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.88 143.73 7.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.452 HG11 ' CD ' ' A' ' 78' ' ' LYS . 94.7 t -88.24 112.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.59 163.02 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -129.75 148.78 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.605 ' CD1' HD22 ' A' ' 16' ' ' LEU . 33.6 m-85 -147.8 162.45 39.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 100' ' ' THR . 2.8 m -123.94 165.47 17.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.4 ' N ' HG22 ' A' ' 99' ' ' THR . 1.9 p -113.84 167.22 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.34 168.13 29.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.15 13.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 104' ' ' SER . 64.9 t0 -151.53 -67.75 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 1.5 p 86.45 -45.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.66 -162.3 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 108' ' ' SER . 18.4 Cg_endo -75.01 -41.56 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.535 1.808 . . . . 0.0 111.058 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.1 m 68.05 -71.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.959 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' PRO . 43.8 p -72.52 147.09 46.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -66.91 124.24 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.87 146.88 31.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.37 106.98 0.57 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.45 91.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 p -109.85 119.54 39.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.03 -135.94 8.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 169.67 22.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -68.14 -173.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.7 ttt -80.27 119.93 77.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.497 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.0 167.64 26.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.15 136.94 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.79 147.66 1.56 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.42 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.425 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.0 m -84.5 -178.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tp -134.6 87.78 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 p -59.96 -54.15 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -132.85 151.74 51.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.65 135.68 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.512 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -117.94 162.89 12.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 mt -69.33 -36.56 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -130.6 23.22 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.512 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 69.3 p-90 -155.39 159.75 40.13 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.0 mt -147.09 119.23 8.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.63 99.98 11.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.404 HD22 ' CE2' ' A' ' 98' ' ' PHE . 46.2 mt -96.0 173.48 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -155.21 117.71 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.702 ' CG ' HG21 ' A' ' 81' ' ' VAL . 37.8 p90 -120.5 165.11 15.42 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.71 169.01 13.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.81 162.3 59.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.47 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.86 119.12 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.66 79.16 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 p -75.55 156.96 84.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 110.375 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.549 ' HD2' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo -75.07 -39.61 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.8 p -123.04 165.33 16.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.12 -57.69 10.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.65 172.09 16.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.77 19.95 6.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.569 1.168 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.549 HD11 ' HD2' ' A' ' 35' ' ' PRO . 90.7 mt -97.45 139.84 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -123.53 147.75 46.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 5.2 m-85 -119.43 123.68 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 59' ' ' TYR . 88.6 mt -96.97 115.67 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.444 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 21.6 tp -76.09 137.96 40.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG3' HD12 ' A' ' 82' ' ' ILE . 4.0 mt-10 -117.51 163.55 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.2 ttp -156.75 134.53 10.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -118.11 120.51 37.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.481 ' HG3' ' CD1' ' A' ' 77' ' ' TYR . 3.2 tm-20 178.97 -58.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' THR . 0.3 OUTLIER -41.97 151.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' GLU . 70.7 p 37.51 71.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' THR . 94.2 p 39.07 63.34 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.87 -96.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.7 OUTLIER 45.02 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 0.726 . . . . 0.0 111.046 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.73 154.69 1.41 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.421 1.075 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CD2' ' HE3' ' A' ' 80' ' ' LYS . 6.4 m-85 -94.41 139.28 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 9.9 mmtt -112.89 146.28 34.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.07 175.78 10.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.26 -46.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 43' ' ' ILE . 55.6 t80 -114.51 160.71 18.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -168.25 80.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.28 175.63 29.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -94.66 40.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -111.63 149.61 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -101.88 32.08 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.99 144.73 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -153.13 148.29 26.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.6 m -109.29 97.29 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 23.9 t -61.04 150.59 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -143.84 -173.78 4.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 51.47 59.97 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.7 mt -121.95 -165.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.0 156.59 43.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 138.63 42.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.12 77.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -150.22 139.35 21.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -77.23 145.1 37.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.481 ' CD1' ' HG3' ' A' ' 48' ' ' GLU . 11.0 m-85 -153.74 146.67 24.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 79' ' ' PHE . 3.5 mttt -105.51 162.59 13.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 78' ' ' LYS . 94.0 m-85 -163.02 136.31 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.564 ' HE3' ' CD2' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -141.11 126.17 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.702 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -79.6 129.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.449 HD12 ' HG3' ' A' ' 45' ' ' GLU . 10.3 mt -122.19 116.47 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.497 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -95.45 114.62 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -117.3 162.29 18.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.419 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -123.37 149.34 45.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -45.36 -25.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.054 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.68 -47.21 27.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.91 -162.84 21.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -106.68 -177.6 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.49 -168.07 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -79.71 143.31 58.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.408 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.99 164.12 34.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t -96.05 167.62 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.35 120.55 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.543 HG12 ' HG2' ' A' ' 78' ' ' LYS . 61.2 t -68.57 119.83 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.0 m -101.8 169.42 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -133.07 146.1 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 22.1 m-85 -147.81 169.97 18.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.2 m -138.7 147.32 42.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.9 p -78.7 -175.57 4.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.52 167.58 10.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.25 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 137.84 22.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -66.18 119.46 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.7 t -171.93 137.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -81.11 166.68 48.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 107.08 2.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.0 t 65.36 101.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m 50.82 91.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -169.28 94.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -90.91 126.63 36.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.78 127.07 2.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -127.4 142.79 51.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -93.75 157.08 16.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.963 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.15 154.6 6.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.19 41.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -81.19 -173.08 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.9 ttt -66.65 116.27 32.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.515 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 166.25 29.6 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.71 137.09 34.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.68 145.53 2.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.04 9.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.53 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.2 m -80.94 -174.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.504 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.0 tp -138.31 92.5 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 p -57.99 -51.72 68.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 110.414 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 154.75 48.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -121.6 119.46 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.515 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -98.85 174.27 27.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 101' ' ' CYS . 8.2 mt -80.72 -33.49 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.1 p -132.12 23.84 4.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.515 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 63.6 p-90 -158.44 155.11 27.99 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.2 mt -140.2 116.13 10.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.71 104.14 16.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.9 mt -98.98 164.68 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.53 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -150.16 117.59 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.57 ' CG ' HG21 ' A' ' 81' ' ' VAL . 38.7 p90 -122.34 163.79 19.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 107.979 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -127.84 175.05 8.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -75.63 161.31 76.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.81 0.84 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -104.51 132.48 50.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.26 69.6 1.27 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -73.36 155.3 89.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.9 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.811 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.06 167.14 11.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -61.43 -62.44 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -146.35 178.83 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.92 20.11 10.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -92.43 142.24 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.251 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.472 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 27.3 m -123.49 148.76 45.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.608 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 9.7 m-85 -121.86 126.76 49.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.6 mt -97.01 112.68 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.417 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 30.4 tp -76.67 111.52 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.501 ' HG3' HD12 ' A' ' 82' ' ' ILE . 1.9 mt-10 -97.33 163.88 12.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.461 ' HB3' ' CD ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -162.68 144.75 10.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -127.48 128.58 45.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 171.13 175.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.69 160.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p 45.89 -166.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.4 p -67.48 96.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.86 92.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -148.25 89.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.97 148.6 24.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.466 ' CG ' ' HE3' ' A' ' 80' ' ' LYS . 11.9 m-85 -89.73 157.34 18.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -127.89 151.04 75.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.51 38.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' CD ' ' HB3' ' A' ' 46' ' ' MET . 0.1 OUTLIER -129.03 -50.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.537 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 44.9 t80 -117.69 156.59 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.16 82.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.65 169.69 29.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.23 41.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.09 148.91 32.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.608 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 21.9 mt -99.45 33.03 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.77 140.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.537 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 90.2 t80 -151.69 156.55 40.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.6 m -119.67 103.88 9.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.7 t -68.57 145.85 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -134.59 174.82 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 63.86 66.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.1 mt -124.49 -175.86 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -119.76 147.56 44.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 146.15 55.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.99 74.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 99.0 m -150.22 163.4 38.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.75 154.43 31.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.404 ' CE1' ' HE1' ' A' ' 46' ' ' MET . 33.5 m-85 -153.69 145.29 23.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -100.77 129.65 46.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -129.32 149.31 51.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.466 ' HE3' ' CG ' ' A' ' 55' ' ' PHE . 6.4 ptpt -145.97 133.96 21.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.57 HG21 ' CG ' ' A' ' 28' ' ' TRP . 2.0 p -88.05 129.45 39.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.501 HD12 ' HG3' ' A' ' 45' ' ' GLU . 5.9 mt -120.01 116.26 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -91.6 117.55 29.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.472 ' CE1' ' HB2' ' A' ' 41' ' ' SER . 0.4 OUTLIER -128.14 163.02 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.77 164.29 19.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 m -54.14 -20.05 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.1 -47.23 13.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.04 -156.31 10.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.569 1.168 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 1.5 pttp -131.26 156.67 45.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.84 -166.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -76.13 150.06 82.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.473 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.01 159.6 41.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -91.15 175.33 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.96 128.15 26.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.3 t -72.77 122.44 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.7 m -101.35 162.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.32 141.95 49.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -144.06 170.78 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -132.33 146.81 52.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.2 p -92.56 177.19 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.588 ' O ' HG23 ' A' ' 21' ' ' ILE . 3.7 m -95.76 162.77 23.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 160.97 39.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.73 126.24 54.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m -133.04 -58.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.76 167.18 20.89 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.563 1.823 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.59 -57.97 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.8 p -138.59 99.61 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -50.03 162.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.066 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -131.31 108.75 9.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.17 -143.25 11.95 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -120.06 101.17 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -138.25 77.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.39 -136.72 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 162.8 36.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -69.94 -175.53 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.8 ttt -74.98 120.02 79.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.09 167.39 27.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.08 137.13 34.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 146.4 1.63 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.07 11.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.542 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.2 m -84.13 -170.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.4 tp -141.15 96.39 2.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.537 HG23 ' HB2' ' A' ' 27' ' ' GLN . 41.8 p -65.8 -55.5 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.05 143.95 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -114.82 115.11 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.91 161.12 22.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 101' ' ' CYS . 6.6 mt -67.98 -34.67 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.0 p -131.7 22.67 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.51 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 64.8 p-90 -156.36 153.96 29.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 19' ' ' ALA . 63.5 mt -140.3 121.36 14.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.2 100.91 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 44' ' ' LEU . 54.8 mt -93.09 161.79 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.542 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -143.95 112.61 6.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.428 ' CG ' HG21 ' A' ' 81' ' ' VAL . 39.8 p90 -112.19 163.37 14.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.62 173.68 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 165.09 31.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.43 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 m -39.5 141.62 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.67 54.27 16.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -58.91 160.29 11.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -58.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.08 170.98 13.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -78.82 59.46 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -165.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.91 94.95 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -73.68 148.45 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -104.42 160.56 14.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 110.015 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.421 ' CE1' HD23 ' A' ' 64' ' ' LEU . 4.0 m-85 -139.96 123.9 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.419 HD11 ' CD2' ' A' ' 84' ' ' TYR . 20.4 mt -96.66 123.48 48.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.785 HD21 HD12 ' A' ' 26' ' ' LEU . 21.3 tp -87.02 110.52 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.525 ' HG3' HD12 ' A' ' 82' ' ' ILE . 17.9 mt-10 -94.24 162.19 13.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.493 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -162.09 140.23 8.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -151.14 141.05 21.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -126.51 119.87 28.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 46.11 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.5 p -67.8 177.7 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.17 -62.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.015 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.73 55.53 0.42 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -158.8 -50.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.85 162.98 20.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.429 ' CG ' ' HE3' ' A' ' 80' ' ' LYS . 10.3 m-85 -42.62 126.21 3.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -101.26 149.75 36.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.0 133.5 16.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.771 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HE3' HG13 ' A' ' 68' ' ' VAL . 5.5 mmmt -102.97 -61.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -108.75 151.75 25.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -146.0 84.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.89 -165.41 12.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -123.15 46.72 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -116.57 154.98 29.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.421 HD23 ' CE1' ' A' ' 42' ' ' TYR . 25.3 mt -99.21 29.05 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.34 147.64 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -156.85 158.78 37.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -117.37 105.28 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.466 HG13 ' HE3' ' A' ' 58' ' ' LYS . 18.7 t -70.54 148.11 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -136.18 172.06 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.733 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.0 m-80 59.26 78.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 70' ' ' ASN . 21.8 mt -136.74 -176.97 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.68 144.92 48.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 142.44 58.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.2 p 42.08 78.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.5 m -147.51 128.01 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.99 124.81 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -132.43 144.41 50.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' CG ' ' HG3' ' A' ' 97' ' ' GLU . 11.0 mtpt -111.31 136.21 50.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 81.4 m-85 -133.7 146.86 51.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.582 ' HB3' HG22 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -143.1 132.12 22.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG13 ' HG2' ' A' ' 11' ' ' PRO . 1.5 p -85.58 132.14 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.525 HD12 ' HG3' ' A' ' 45' ' ' GLU . 6.8 mt -122.93 112.97 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.24 119.46 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -126.83 161.34 28.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.402 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 7.8 t30 -124.0 152.7 42.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -45.54 -25.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.04 -47.33 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.91 176.11 45.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.99 157.64 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.41 -164.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -76.94 150.03 80.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.94 160.44 40.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t -92.1 177.67 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.991 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.71 131.08 48.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 80' ' ' LYS . 92.5 t -77.03 119.56 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.9 m -102.38 167.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 tt0 -133.08 153.66 51.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 35.9 m-85 -153.63 173.18 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 m -138.7 150.14 45.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.7 p -93.14 175.42 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.496 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -88.76 167.36 18.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.291 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.76 19.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -141.76 120.07 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.0 t -86.09 70.92 10.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.73 144.39 11.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.11 15.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.1 p -56.78 149.35 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.65 -58.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.09 116.57 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 p -146.36 -60.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.99 -114.48 0.37 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.92 98.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 110.034 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -157.69 115.49 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.35 -136.75 2.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.53 16.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -73.11 -174.26 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 ttt -78.26 120.49 81.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.51 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.03 164.43 33.3 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.441 1.758 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.7 136.73 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.462 ' HB3' HG13 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -46.99 146.41 2.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.003 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.498 ' O ' HG21 ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.95 136.3 20.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 27' ' ' GLN . 3.2 m -91.13 -169.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.759 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.3 tp -138.19 87.33 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.425 HG21 ' HG3' ' A' ' 27' ' ' GLN . 43.4 p -56.17 -61.05 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.72 131.28 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -110.28 118.65 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.11 -165.3 31.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.41 HG21 ' HA ' ' A' ' 103' ' ' ASP . 11.8 mt -90.51 -47.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.3 p -119.96 31.48 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.35 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 68.4 p-90 -163.35 158.72 21.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 108.01 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.458 HD12 HD13 ' A' ' 71' ' ' LEU . 35.1 mt -147.53 123.38 10.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.0 101.28 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 79' ' ' PHE . 30.7 mt -94.93 165.94 12.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' HG3' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -146.37 125.89 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.6 ' CG ' HG21 ' A' ' 81' ' ' VAL . 49.1 p90 -132.56 165.44 24.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.13 161.56 34.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.9 163.76 0.47 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.17 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -98.41 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.05 86.98 0.45 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -67.23 157.4 85.32 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.522 ' HD2' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo -75.07 -39.66 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.71 -72.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -177.01 -58.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.38 170.86 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.41 19.52 13.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.522 HD11 ' HD2' ' A' ' 35' ' ' PRO . 52.7 mt -90.87 145.15 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -117.86 158.18 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.617 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -135.5 142.62 45.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.9 mt -108.46 127.42 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 26' ' ' LEU . 20.3 tp -87.55 108.9 19.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.576 ' HG3' HD12 ' A' ' 82' ' ' ILE . 2.8 mt-10 -100.37 149.6 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.41 ' HB3' ' CD ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -156.13 139.23 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.28 150.02 49.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.32 -55.5 10.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -148.4 178.77 8.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.23 132.84 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.437 ' O ' ' CE2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -178.54 -72.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.945 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 53' ' ' TYR . . . 85.22 43.53 6.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.05 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.437 ' CE2' ' O ' ' A' ' 51' ' ' SER . 85.5 m-85 -158.15 -45.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.73 0.31 61.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 7.8 m-85 -53.3 122.98 10.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.734 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -109.67 147.82 36.89 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 132.6 15.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' HE3' ' CG1' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -109.25 -54.17 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.438 ' OH ' ' N ' ' A' ' 63' ' ' ASP . 38.8 t80 -111.82 154.08 25.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -159.36 81.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.6 -171.42 17.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -94.66 -9.53 34.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 10.8 m-20 -71.59 158.55 36.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.617 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 1.3 mt -112.64 23.19 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.8 135.59 15.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -149.4 158.4 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.1 m -119.79 100.62 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.456 ' CG1' HD21 ' A' ' 71' ' ' LEU . 78.4 t -63.31 148.81 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -136.04 168.84 18.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.448 ' O ' HD23 ' A' ' 71' ' ' LEU . 87.4 m-20 61.93 72.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.458 HD13 HD12 ' A' ' 24' ' ' LEU . 49.6 mt -128.7 -166.43 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -122.53 149.34 44.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.29 153.49 31.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 41.09 61.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 76' ' ' LYS . 96.0 m -142.39 169.54 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.445 ' N ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -124.82 151.64 44.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -153.73 142.76 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' HB3' ' CG1' ' A' ' 95' ' ' VAL . 16.2 mtpt -94.96 148.69 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.47 ' CD2' HD11 ' A' ' 26' ' ' LEU . 53.6 m-85 -142.32 144.99 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.536 ' HB3' HG22 ' A' ' 95' ' ' VAL . 1.3 pttp -143.65 125.64 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.6 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.6 p -84.0 126.61 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.576 HD12 ' HG3' ' A' ' 45' ' ' GLU . 9.5 mt -118.09 117.92 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -95.83 118.94 33.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -127.2 162.44 26.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 88' ' ' GLY . 1.6 t-20 -123.6 151.56 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.5 m -48.76 -22.97 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -79.31 -47.45 15.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 85' ' ' ASN . . . -163.8 -164.93 20.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' CD ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -115.95 -170.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.78 -167.71 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -82.05 146.07 54.47 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.452 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.01 163.91 34.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.557 1.819 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.7 t -96.06 163.91 12.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.39 125.66 8.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 80' ' ' LYS . 91.3 t -69.42 124.8 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 14' ' ' PRO . 34.6 m -102.46 163.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -125.82 144.01 50.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 14.6 m-85 -146.83 165.21 30.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -131.08 155.48 46.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.0 p -96.87 178.1 5.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.436 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.0 165.56 14.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 108.337 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.71 18.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.41 ' HA ' HG21 ' A' ' 21' ' ' ILE . 8.7 t0 -75.28 -56.73 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.1 t -89.29 -55.45 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.22 174.23 30.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 68.87 5.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.521 1.8 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.12 82.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.2 145.99 55.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.98 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.81 130.16 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.21 -54.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.74 -81.1 0.72 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.35 108.43 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.1 p -159.68 116.38 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.948 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.69 153.49 6.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.138 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.35 40.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -173.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.6 ttt -69.96 117.26 52.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 176.21 10.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.63 139.99 30.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.68 147.56 1.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.04 11.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 27' ' ' GLN . 3.6 m -81.78 -176.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 98' ' ' PHE . 3.2 tp -140.9 95.42 2.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.4 p -66.97 -57.15 7.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.17 146.91 50.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.52 117.45 29.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.511 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -100.42 166.5 19.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.427 HG12 ' CB ' ' A' ' 101' ' ' CYS . 26.0 mt -70.31 -41.79 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.3 p -125.34 23.35 7.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.511 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 65.0 p-90 -155.68 154.13 31.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 108.014 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.406 HD12 HD13 ' A' ' 71' ' ' LEU . 25.9 mt -143.31 114.54 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.41 103.22 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.053 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.967 HD12 HD21 ' A' ' 44' ' ' LEU . 31.1 mt -99.85 164.36 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.795 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -148.96 115.9 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.695 ' CG ' HG21 ' A' ' 81' ' ' VAL . 44.1 p90 -115.64 164.4 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -125.5 164.06 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -83.83 159.97 59.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.96 10.56 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -88.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.44 86.02 0.19 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 p -78.18 157.36 78.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.557 0.798 . . . . 0.0 110.438 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -163.1 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.36 173.63 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.39 112.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.28 161.99 21.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.32 111.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.9 mt -115.86 145.43 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.34 143.85 43.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.58 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 2.9 m-85 -125.69 136.53 53.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.59 HD11 ' CD2' ' A' ' 84' ' ' TYR . 5.3 mt -101.27 112.97 36.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.967 HD21 HD12 ' A' ' 26' ' ' LEU . 20.5 tp -82.14 117.39 22.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.76 161.79 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.3 ttp -162.43 123.67 2.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.49 128.9 56.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.54 -55.86 19.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -165.67 -60.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.42 148.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.5 m -156.64 -53.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.56 -63.95 0.24 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -49.63 -47.47 49.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.53 -153.41 17.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.144 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -64.07 157.8 24.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 0.748 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -132.95 147.16 64.31 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.16 28.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -48.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.588 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 52.6 t80 -110.33 158.95 17.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.62 77.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.0 171.12 24.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -94.93 46.63 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.32 148.08 45.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.58 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 27.4 mt -95.84 29.13 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.02 141.12 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 72.4 t80 -149.41 153.35 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -112.6 96.91 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.0 t -58.28 147.02 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -134.57 178.83 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.759 ' O ' HD23 ' A' ' 71' ' ' LEU . 0.9 OUTLIER 47.82 85.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 70' ' ' ASN . 29.1 mt -140.57 -164.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -125.49 151.65 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -73.61 137.4 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.354 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.84 79.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.29 142.39 26.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.01 128.89 34.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.499 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 6.3 m-85 -138.23 152.64 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.44 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -110.99 151.49 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 77' ' ' TYR . 87.8 m-85 -150.1 137.34 19.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.4 ' HB3' HG22 ' A' ' 95' ' ' VAL . 8.8 ptpt -139.27 126.08 20.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.695 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.4 p -78.84 127.74 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 11.1 mt -120.93 109.39 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.418 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.42 125.5 35.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -135.94 164.51 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.16 155.07 37.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -20.23 4.4 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -85.43 -47.25 10.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.3 172.34 39.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 2.6 ptmm? -110.74 162.87 14.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.47 -166.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -82.39 155.24 69.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.458 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.98 163.71 34.82 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 t -94.4 177.26 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -55.78 125.7 22.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.44 HG11 ' CD ' ' A' ' 78' ' ' LYS . 75.7 t -70.83 117.77 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.5 m -101.06 171.98 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -132.9 146.65 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.473 ' CE2' HD22 ' A' ' 26' ' ' LEU . 13.0 m-85 -144.71 176.5 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -144.82 147.0 32.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.5 p -88.74 175.09 7.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.427 ' CB ' HG12 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -67.36 167.25 15.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 108.315 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' SER . 18.2 Cg_endo -75.05 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.5 t0 70.34 -63.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' PRO . 5.1 t 75.25 125.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -57.99 -179.15 0.86 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 82.03 2.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.4 t -141.35 -55.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.8 80.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -166.72 -62.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -125.49 111.99 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.11 137.67 14.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -132.78 -49.02 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.8 133.14 54.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.33 -121.2 4.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 132.96 16.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -176.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.5 ttt -57.94 116.59 14.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.4 Cg_endo -75.02 174.48 12.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.57 137.25 32.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.38 147.62 3.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.98 11.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.433 1.754 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.596 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.3 m -86.74 -174.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.9 tp -137.39 103.42 5.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p -74.23 -56.85 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.402 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.42 129.99 38.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.525 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -100.47 116.91 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -96.83 173.29 29.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.43 ' CG2' ' HB2' ' A' ' 103' ' ' ASP . 79.0 mt -75.43 -49.47 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -118.37 24.45 10.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 68.0 p-90 -156.97 154.46 29.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 mt -139.15 116.36 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.04 100.01 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' CE2' ' A' ' 98' ' ' PHE . 57.5 mt -93.66 166.23 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.596 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -149.54 114.06 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.499 ' CG ' HG21 ' A' ' 81' ' ' VAL . 39.1 p90 -120.26 160.67 22.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -126.15 175.75 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 159.13 64.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -92.12 143.33 26.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' SER . . . 37.65 84.45 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.627 HG21 HD11 ' A' ' 40' ' ' ILE . 3.6 p -72.56 154.31 91.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' SER . 18.2 Cg_endo -75.06 56.6 4.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER 39.2 85.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -149.49 95.57 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.07 99.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.8 118.28 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.627 HD11 HG21 ' A' ' 34' ' ' THR . 47.5 mt -107.68 145.02 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.517 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 1.0 OUTLIER -102.89 138.96 39.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -126.03 131.99 52.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 84' ' ' TYR . 8.1 mt -100.51 122.07 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 26' ' ' LEU . 18.4 tp -87.38 110.48 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -98.36 162.76 13.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.556 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.84 137.12 6.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 55' ' ' PHE . 1.7 tm-20 -135.55 135.91 40.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -167.12 -73.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.689 ' O ' HG23 ' A' ' 50' ' ' THR . 8.8 tp10 -134.77 81.39 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 49' ' ' GLU . 3.6 p -159.86 72.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.47 170.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.03 49.3 1.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -105.21 24.16 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.03 -162.16 52.87 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' CG ' ' HE3' ' A' ' 80' ' ' LYS . 14.1 m-85 -72.13 138.66 47.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -114.79 149.25 42.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.493 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.03 140.54 25.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -46.7 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.623 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.1 t80 -115.19 162.77 16.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.67 90.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.04 -173.64 21.2 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -114.23 36.8 3.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -111.84 152.37 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -95.18 31.43 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.93 147.14 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.623 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 53.4 t80 -152.56 158.66 42.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -115.21 98.82 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 5.7 t -65.93 145.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -135.49 179.24 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.686 ' O ' HD23 ' A' ' 71' ' ' LEU . 12.4 m-20 60.99 70.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 70' ' ' ASN . 20.9 mt -134.45 -176.71 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.8 155.43 41.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.9 150.48 45.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.18 75.14 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.9 m -149.04 164.49 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 147.51 44.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -149.68 151.0 32.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -106.77 131.46 53.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 70.7 m-85 -132.5 144.34 50.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.762 ' HB3' HG22 ' A' ' 95' ' ' VAL . 2.5 pttt -139.26 129.2 24.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.499 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.4 p -80.39 127.19 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 10.0 mt -118.36 111.82 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.456 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.31 122.86 33.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.517 ' CE1' ' HB2' ' A' ' 41' ' ' SER . 0.5 OUTLIER -136.6 164.14 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -123.64 163.08 21.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -57.08 -17.16 9.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.09 -47.22 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.26 -168.33 28.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -126.22 158.87 34.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.7 -168.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -74.86 151.99 86.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.1 Cg_endo -75.01 163.55 35.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -97.86 162.41 13.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.47 129.36 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.762 HG22 ' HB3' ' A' ' 80' ' ' LYS . 87.7 t -75.79 118.54 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.5 m -100.76 168.35 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -129.5 153.52 47.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.525 ' CE2' HD22 ' A' ' 26' ' ' LEU . 20.1 m-85 -148.35 174.67 11.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.3 m -138.36 153.98 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.6 p -97.46 -172.72 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.63 167.26 10.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 108.278 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 146.45 32.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.43 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 12.1 t0 -135.13 134.18 39.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 t -159.41 109.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.946 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.64 159.53 15.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -40.59 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.0 p -101.9 123.84 46.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t -127.58 149.15 50.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -119.14 124.16 46.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 109.998 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -128.77 118.63 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.84 106.57 0.19 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -176.39 109.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 110.034 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -166.14 135.53 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.07 -136.69 0.2 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -179.17 4.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -73.87 -175.11 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.486 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 7.2 ttt -72.12 122.63 87.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.01 -179.71 5.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.96 141.63 29.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.13 146.12 3.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.72 10.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 27' ' ' GLN . 2.9 m -80.93 179.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.653 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.5 tp -135.45 86.18 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.5 p -56.42 -61.27 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.442 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.77 138.35 52.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -113.72 115.7 28.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.511 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.05 -172.9 37.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.623 HG23 ' O ' ' A' ' 101' ' ' CYS . 19.2 mt -87.18 -44.13 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.4 p -121.88 17.74 10.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.511 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.8 p-90 -148.95 156.74 42.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 107.956 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.612 HD12 HD13 ' A' ' 71' ' ' LEU . 33.9 mt -146.45 115.07 6.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.98 100.17 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.447 HD22 ' CE2' ' A' ' 98' ' ' PHE . 49.1 mt -95.65 162.99 13.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.645 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -147.16 113.14 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.659 ' CG ' HG21 ' A' ' 81' ' ' VAL . 33.5 p90 -113.58 160.2 18.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -122.85 166.22 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.22 162.02 35.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . 18.2 Cg_endo -75.03 -177.88 3.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -97.37 173.56 7.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 37.69 45.53 1.48 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 p -67.07 161.59 61.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.43 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.69 -72.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 178.85 53.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 39' ' ' GLY . 2.2 pt-20 -84.9 67.1 10.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 38' ' ' GLU . . . 39.74 93.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.5 mt -108.9 133.11 55.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 4.6 m -126.25 151.4 47.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.601 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 10.5 m-85 -124.98 121.78 35.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 59' ' ' TYR . 70.4 mt -98.45 120.31 47.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.505 HD23 HG22 ' A' ' 68' ' ' VAL . 21.1 tp -80.52 110.0 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -93.44 164.5 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 1.5 tmm? -159.82 143.63 14.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -133.41 124.44 27.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -108.56 158.24 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -68.98 171.36 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.1 p 39.35 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.46 -55.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.039 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.32 73.4 0.49 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -154.33 -50.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.66 -168.17 22.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.519 ' CZ ' ' HE2' ' A' ' 80' ' ' LYS . 13.0 m-85 -81.47 119.87 24.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 58.1 mmtt -100.2 148.02 34.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -74.96 141.27 26.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -117.33 -48.91 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.371 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.629 ' O ' HG23 ' A' ' 43' ' ' ILE . 28.4 t80 -118.44 160.33 21.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -161.59 86.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.11 170.78 29.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -96.94 44.13 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.55 146.75 43.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.601 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 17.9 mt -96.58 34.68 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.97 134.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 60.1 t80 -145.9 156.22 43.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.9 m -114.6 99.04 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.505 HG22 HD23 ' A' ' 44' ' ' LEU . 61.3 t -67.16 121.9 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -112.2 174.48 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.562 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.6 m-80 65.09 75.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.612 HD13 HD12 ' A' ' 24' ' ' LEU . 42.8 mt -134.56 178.94 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.37 156.56 28.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.46 137.67 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.3 75.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.1 m -145.03 137.27 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.373 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 146.46 29.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 10.4 m-85 -152.36 147.55 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -110.41 134.55 52.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 77' ' ' TYR . 92.4 m-85 -137.09 139.23 41.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.519 ' HE2' ' CZ ' ' A' ' 55' ' ' PHE . 4.9 ptpt -139.02 124.98 19.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.659 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.3 p -78.46 133.35 30.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.2 mt -126.73 114.92 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -93.36 122.32 35.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 0.2 OUTLIER -126.44 161.54 27.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -123.79 151.8 42.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 m -49.28 -22.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -78.9 -42.4 27.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.19 -165.68 29.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.9 175.6 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -131.17 -165.22 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -86.17 149.49 50.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.45 27.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.486 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 6.2 t -103.9 159.2 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.74 120.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.489 HG22 ' HB3' ' A' ' 80' ' ' LYS . 67.8 t -68.09 120.65 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.8 m -102.46 169.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -132.59 144.9 50.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.334 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.577 ' CD1' HD22 ' A' ' 16' ' ' LEU . 15.2 m-85 -145.82 154.74 42.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 m -127.13 146.51 50.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.471 HG22 HD21 ' A' ' 24' ' ' LEU . 35.6 p -91.53 175.25 6.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.623 ' O ' HG23 ' A' ' 21' ' ' ILE . 1.1 m -95.05 166.51 14.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.54 29.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -87.58 -55.79 3.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.5 t -147.78 167.05 25.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 133.16 97.97 0.65 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 146.78 33.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.2 p -97.86 94.17 6.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 t 61.37 -86.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -136.54 144.53 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.0 111.29 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.96 76.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -72.64 117.75 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -160.45 99.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.6 -155.86 24.35 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 179.76 5.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.553 1.818 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -89.26 -174.21 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.7 ttt -66.89 120.89 75.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.04 -175.81 2.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.83 136.41 40.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.89 144.84 1.78 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.72 10.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 27' ' ' GLN . 3.4 m -82.22 176.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 98' ' ' PHE . 8.7 tp -126.08 81.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.567 HG23 ' HB2' ' A' ' 27' ' ' GLN . 17.9 p -53.76 -54.42 38.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.67 140.51 38.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -112.9 117.52 32.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.507 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.37 178.73 31.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.512 HG21 ' HB2' ' A' ' 103' ' ' ASP . 50.1 mt -79.64 -47.95 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -120.54 29.92 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.507 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.3 p-90 -163.23 156.45 19.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 19' ' ' ALA . 46.6 mt -143.92 114.24 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.8 103.67 16.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.482 HD12 HD21 ' A' ' 44' ' ' LEU . 18.6 mt -100.95 163.41 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.567 ' HB2' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -140.85 124.38 16.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.527 ' CG ' HG21 ' A' ' 81' ' ' VAL . 38.3 p90 -130.31 160.28 34.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 m -126.74 171.45 11.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 160.5 38.06 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . 18.0 Cg_endo -75.03 83.92 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER 49.88 -167.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' SER . . . -35.07 -65.95 0.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.423 ' OG1' ' HD2' ' A' ' 35' ' ' PRO . 0.5 OUTLIER 55.53 163.67 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.423 ' HD2' ' OG1' ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.01 -50.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.675 ' O ' HD11 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -80.78 108.21 14.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.94 -63.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.47 165.02 18.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.344 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.89 -19.35 47.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.675 HD11 ' O ' ' A' ' 36' ' ' SER . 64.7 mt -61.23 136.37 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m -103.76 147.72 26.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 13.5 m-85 -130.51 129.0 42.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.458 HD11 ' CD2' ' A' ' 84' ' ' TYR . 16.7 mt -97.91 117.83 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.482 HD21 HD12 ' A' ' 26' ' ' LEU . 29.5 tp -82.5 108.99 16.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' HG3' HD12 ' A' ' 82' ' ' ILE . 5.1 mt-10 -96.45 165.02 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.423 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -162.24 136.76 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -129.43 121.05 26.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -177.68 -58.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.81 -65.01 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.404 HG21 ' HG3' ' A' ' 56' ' ' LYS . 59.2 p -43.65 159.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 52' ' ' GLY . 52.3 p -40.0 -68.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' OG ' ' A' ' 51' ' ' SER . . . 150.27 50.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -108.7 -50.35 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.794 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 47' ' ' GLU . . . -149.88 -179.09 25.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 47' ' ' GLU . 9.0 m-85 -93.2 163.28 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 2.9 mmtp -133.0 146.34 60.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -74.99 143.38 29.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.26 -46.07 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.607 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 40.6 t80 -116.37 159.44 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -159.29 87.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.95 -177.61 24.98 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -111.94 44.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.72 149.56 40.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 31.0 mt -94.22 30.93 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.22 141.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.607 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 79.5 t80 -147.79 158.84 44.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.1 m -117.49 96.43 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.62 146.89 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.79 176.53 8.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.457 ' O ' HD23 ' A' ' 71' ' ' LEU . 3.3 m-20 57.08 71.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 70' ' ' ASN . 41.7 mt -129.53 -171.99 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -123.12 148.86 45.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 147.29 49.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.76 77.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 76' ' ' LYS . 72.9 m -150.22 167.2 27.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 75' ' ' THR . 1.0 OUTLIER -124.1 129.77 51.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -132.88 144.55 50.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -96.82 132.36 42.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 46' ' ' MET . 54.1 m-85 -131.42 145.98 52.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.522 ' HE3' ' CG ' ' A' ' 55' ' ' PHE . 7.3 ptpt -141.69 135.56 29.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.7 p -88.29 127.57 41.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.474 HD12 ' HG3' ' A' ' 45' ' ' GLU . 7.5 mt -119.1 115.93 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -91.95 128.74 37.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -137.77 161.23 37.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 14.9 t30 -123.89 152.02 42.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -46.25 -25.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.72 -47.32 17.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.64 173.78 44.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.95 161.08 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.9 -166.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -76.15 154.18 84.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.465 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.99 163.91 34.4 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.97 168.39 10.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.07 130.55 10.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 80' ' ' LYS . 45.7 t -79.0 123.52 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.7 m -104.91 168.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 7.0 tt0 -132.27 154.11 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.558 ' CD1' HD22 ' A' ' 16' ' ' LEU . 30.0 m-85 -152.82 169.73 22.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.1 m -132.22 146.15 51.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.1 p -91.72 -178.31 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.65 169.8 8.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.7 14.06 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.512 ' HB2' HG21 ' A' ' 21' ' ' ILE . 24.8 t70 -155.27 147.19 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.8 p -152.26 -57.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.87 96.1 0.57 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.33 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 p -136.23 141.44 43.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.044 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.89 115.52 30.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.96 86.14 4.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.3 129.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.25 -129.32 2.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -120.0 99.43 6.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -93.9 101.85 13.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.86 -134.72 7.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 126.31 9.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 0.0 111.037 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.3 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.3 ttt -58.33 116.42 14.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.07 163.89 34.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.12 136.88 37.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.91 146.59 5.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 127.56 10.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.529 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.4 m -84.68 -175.04 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.0 tp -138.51 89.53 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 30.9 p -62.07 -60.25 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.3 OUTLIER -125.98 129.25 48.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.259 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.698 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -105.57 114.44 28.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.516 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -94.22 172.42 31.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.553 HG21 ' HB2' ' A' ' 103' ' ' ASP . 39.2 mt -75.58 -49.07 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -115.87 28.55 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.516 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.1 p-90 -165.77 155.6 12.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 71' ' ' LEU . 27.0 mt -141.14 119.85 12.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.83 100.88 13.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.53 HD12 HD21 ' A' ' 44' ' ' LEU . 23.9 mt -93.27 160.8 14.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.529 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -146.6 115.59 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.643 ' CG ' HG21 ' A' ' 81' ' ' VAL . 42.0 p90 -122.55 166.84 14.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -128.58 179.54 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.6 160.95 60.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 m -97.79 142.74 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.57 69.7 1.08 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.7 p -73.07 157.64 88.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.408 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -40.02 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.1 p -119.15 162.93 17.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.6 -58.16 9.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.51 172.48 14.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.31 19.71 7.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.3 mt -96.13 139.48 19.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.759 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.598 ' OG ' ' CE2' ' A' ' 84' ' ' TYR . 59.2 p -119.55 151.49 38.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.489 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.9 m-85 -124.18 130.74 53.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.46 HD11 ' CD2' ' A' ' 84' ' ' TYR . 13.1 mt -96.59 116.38 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.53 HD21 HD12 ' A' ' 26' ' ' LEU . 24.5 tp -81.78 111.07 17.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -96.22 165.49 12.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.487 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.76 150.78 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -114.99 115.88 27.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -166.51 109.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -151.22 177.59 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.258 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.91 -37.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.388 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.69 -50.9 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.72 94.69 1.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -154.85 89.66 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.786 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.2 158.38 15.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.494 ' CD2' ' HE3' ' A' ' 80' ' ' LYS . 16.0 m-85 -111.44 150.55 29.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -130.32 152.06 79.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.6 28.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 -46.43 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 52.7 t80 -118.6 163.86 16.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -166.47 83.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.3 175.6 23.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.25 39.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.98 160.36 19.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.459 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 9.2 mt -107.87 24.34 13.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.17 140.75 9.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.599 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 87.9 t80 -151.19 155.49 38.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 m -115.65 104.36 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 93.0 t -68.75 146.1 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.5 176.95 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 59.92 66.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.477 HD13 HD12 ' A' ' 24' ' ' LEU . 39.1 mt -125.78 -174.73 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -125.79 144.02 50.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 149.9 47.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.46 77.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 76' ' ' LYS . 87.9 m -150.19 171.57 16.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.379 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' N ' HG22 ' A' ' 75' ' ' THR . 0.1 OUTLIER -120.93 121.95 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -135.55 155.46 50.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 79' ' ' PHE . 5.2 mtmt -114.07 171.08 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.608 ' O ' HG22 ' A' ' 96' ' ' VAL . 96.5 m-85 -163.18 133.68 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' HE3' ' CD2' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -134.01 125.29 27.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.643 HG21 ' CG ' ' A' ' 28' ' ' TRP . 2.1 p -80.34 128.3 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 7.1 mt -119.46 112.83 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -93.28 125.08 37.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.598 ' CE2' ' OG ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -132.89 161.55 33.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 88' ' ' GLY . 3.4 t30 -123.83 151.91 42.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -43.33 -26.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 85' ' ' ASN . 44.4 mt-10 -73.93 -47.53 37.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' ASN . . . -168.36 -157.83 11.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.16 149.28 52.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.75 -172.39 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -73.18 153.83 90.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -74.98 162.29 37.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.7 t -91.76 172.95 8.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.35 128.18 30.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.427 HG22 ' HB3' ' A' ' 80' ' ' LYS . 77.8 t -70.7 118.32 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 79' ' ' PHE . 34.5 m -100.56 160.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.565 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 mp0 -117.0 155.26 29.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 16.2 m-85 -156.08 166.56 33.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 m -140.48 147.9 40.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.4 p -86.61 178.24 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.81 166.98 13.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 127.75 10.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.553 ' HB2' HG21 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -85.58 102.22 13.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.8 t -137.18 100.59 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 48.67 -162.6 0.47 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 158.63 42.25 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 111.053 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -41.98 122.87 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 t 56.77 103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.3 p 45.03 84.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p 47.77 93.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.42 -175.4 13.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p 46.18 88.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -135.82 143.09 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.84 -121.04 4.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.103 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 134.25 17.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.801 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -59.87 -175.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 ttt -68.27 115.79 32.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.479 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 165.86 30.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.79 138.23 35.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.93 147.48 0.89 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.23 37.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.51 ' CG2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -110.76 164.89 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.984 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.5 tp -116.98 91.54 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -59.42 -58.14 9.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.46 130.5 44.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.984 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -102.68 120.33 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -102.91 169.02 18.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.0 mt -73.0 -54.92 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.598 0.822 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -111.1 24.81 12.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.408 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 67.7 p-90 -159.44 154.11 24.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 107.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' CD1' HD13 ' A' ' 71' ' ' LEU . 49.2 mt -137.78 115.48 11.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.99 100.7 12.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.96 HD12 HD21 ' A' ' 44' ' ' LEU . 15.4 mt -88.67 173.86 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.443 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 1.3 tt0 -164.83 125.97 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.438 ' CZ3' HD13 ' A' ' 44' ' ' LEU . 46.3 p90 -133.95 164.01 28.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 m -127.77 171.03 12.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.43 158.44 48.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 167.75 26.32 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -73.19 151.07 41.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' SER . . . 37.52 87.57 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -84.05 156.8 63.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -170.22 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.84 77.58 3.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -153.61 100.11 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.01 98.66 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.3 111.06 3.01 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.547 1.155 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -102.1 148.88 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.73 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -115.82 143.13 45.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 5.6 m-85 -131.75 135.08 46.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.4 mt -97.19 118.43 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.96 HD21 HD12 ' A' ' 26' ' ' LEU . 26.9 tp -86.55 100.01 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.822 ' OE1' HD12 ' A' ' 82' ' ' ILE . 20.5 mp0 -92.65 160.33 15.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 9.9 ttp -160.45 134.16 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 2.6 mm-40 -149.03 142.98 25.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -91.09 115.55 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 43.48 -162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.85 143.55 57.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -162.48 132.06 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.76 95.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -46.25 -56.32 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.965 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 103.77 162.82 25.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.148 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.495 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 9.2 m-85 -52.45 126.43 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -104.93 147.6 34.74 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.56 19.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.23 -39.61 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.56 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 57.9 t80 -120.12 160.22 23.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -166.69 84.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.91 -177.11 22.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -107.93 44.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.479 ' CG ' ' HH ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -118.41 153.86 33.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 mt -101.75 30.29 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.22 143.78 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 92.2 t80 -156.31 152.7 27.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.4 m -114.24 110.23 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.1 t -76.86 142.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.223 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -128.75 176.3 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 62.89 68.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 24' ' ' LEU . 68.1 mt -127.39 -174.44 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -128.97 142.04 51.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.249 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 147.24 30.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.424 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.3 OUTLIER 39.5 78.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.027 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.7 m -147.88 147.06 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.69 138.3 39.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.439 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 12.0 m-85 -145.32 146.33 31.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' CG ' ' HG2' ' A' ' 97' ' ' GLU . 23.6 mtpt -105.32 137.4 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 91.5 m-85 -132.5 145.1 50.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.684 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -137.63 130.84 30.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG21 ' CB ' ' A' ' 28' ' ' TRP . 1.0 OUTLIER -90.89 124.32 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.822 HD12 ' OE1' ' A' ' 45' ' ' GLU . 7.1 mt -118.54 120.68 64.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.479 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -96.3 121.11 37.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -129.8 162.5 28.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.408 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 53.2 m-20 -123.51 149.85 44.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.8 t -46.82 -24.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -80.62 -47.42 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.84 170.1 41.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 3.7 ptmm? -103.68 166.7 10.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.51 -163.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -82.5 152.73 67.54 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.475 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -75.01 162.47 37.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 t -100.15 175.41 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.21 128.85 35.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 80' ' ' LYS . 63.1 t -77.39 130.46 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -113.9 164.11 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -125.63 157.18 37.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 25.9 m-85 -154.04 158.46 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 m -121.71 152.84 38.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 74' ' ' SER . 8.9 p -86.09 175.8 8.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -83.02 168.17 24.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 108.304 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.98 26.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -126.83 -63.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.58 119.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.06 119.05 6.38 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 162.47 37.04 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.33 106.42 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 t -167.01 79.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -76.67 137.77 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -125.79 93.7 3.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.36 143.26 5.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 p -155.0 154.56 32.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 p -106.29 162.47 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 156.91 7.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 143.19 28.69 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -169.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 ttp -77.12 122.1 85.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 170.73 19.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.93 136.88 33.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.484 ' HB2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -47.18 144.46 4.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.41 9.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 16' ' ' LEU . 1.1 m -82.55 -172.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.1 tp -134.48 88.25 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.0 p -61.23 -59.66 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.5 135.85 52.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.681 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -115.67 118.07 32.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.85 -166.55 30.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.598 HD13 ' HA ' ' A' ' 103' ' ' ASP . 8.0 mt -93.6 -43.71 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -121.98 21.14 10.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.484 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 68.2 p-90 -153.55 155.41 36.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 71' ' ' LEU . 30.7 mt -140.64 119.49 12.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.6 100.61 12.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.77 154.35 18.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.402 ' HB3' HG22 ' A' ' 15' ' ' VAL . 32.4 tt0 -137.72 131.3 31.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.583 ' CG ' HG21 ' A' ' 81' ' ' VAL . 42.9 p90 -131.88 163.9 27.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -125.44 178.34 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.852 ' HE2' HG23 ' A' ' 34' ' ' THR . 2.1 ptmt -81.23 166.92 35.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.662 ' HD2' HG22 ' A' ' 34' ' ' THR . 18.5 Cg_endo -74.98 56.07 4.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t 52.62 99.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.937 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 38.09 91.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.852 HG23 ' HE2' ' A' ' 30' ' ' LYS . 41.6 p -54.5 160.67 2.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -168.59 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.462 1.769 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 m -51.5 147.38 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.1 t70 67.7 114.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.9 -172.88 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.24 24.26 9.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.593 HD12 HG21 ' A' ' 34' ' ' THR . 32.0 mt -67.94 144.9 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.494 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 50.0 m -117.2 159.04 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.431 ' CE1' HD23 ' A' ' 64' ' ' LEU . 5.1 m-85 -130.48 131.82 45.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.2 mt -100.4 134.83 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.427 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 19.7 tp -104.57 108.11 19.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -97.61 164.35 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.457 ' HE2' ' CG ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -155.66 135.39 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -140.1 164.5 29.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.93 -166.27 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.41 -174.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.75 128.28 23.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.4 p -152.28 -51.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 53' ' ' TYR . . . 106.59 81.49 1.42 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 27.8 m-85 -169.97 -57.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 106.17 166.2 23.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.531 ' CD1' ' HB2' ' A' ' 47' ' ' GLU . 5.2 m-85 -56.84 127.63 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -112.86 149.5 41.35 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.66 15.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.774 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.69 -34.75 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.605 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 46.3 t80 -124.03 163.77 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -166.25 82.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.06 -175.98 22.72 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -111.79 42.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.65 154.91 24.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.431 HD23 ' CE1' ' A' ' 42' ' ' TYR . 16.0 mt -101.83 29.41 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.28 143.35 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.605 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 91.3 t80 -152.97 159.0 42.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -122.55 106.04 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.8 t -69.91 151.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -142.26 170.07 16.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 65.66 60.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.441 HD13 HD12 ' A' ' 24' ' ' LEU . 61.8 mt -120.2 -168.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.73 150.49 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.448 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -73.33 140.12 46.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.45 77.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.8 m -149.17 156.77 42.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -109.71 115.73 30.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.457 ' CG ' ' HE2' ' A' ' 46' ' ' MET . 12.6 m-85 -123.48 147.69 46.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.519 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -99.69 160.5 14.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.471 ' O ' HG22 ' A' ' 96' ' ' VAL . 97.8 m-85 -158.79 141.95 14.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.431 ' CE ' ' CD2' ' A' ' 55' ' ' PHE . 8.3 ptpt -146.4 127.52 14.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.583 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.1 p -83.07 130.12 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 12.8 mt -120.78 114.35 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.18 117.25 28.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.494 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 0.3 OUTLIER -126.43 162.5 25.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 88' ' ' GLY . 1.8 m-20 -123.7 150.71 43.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t -42.19 -27.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 85' ' ' ASN . 1.5 mt-10 -73.67 -47.85 36.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.88 -155.72 9.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.51 157.11 45.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.55 -164.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -77.94 151.92 79.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.6 Cg_endo -74.96 165.4 31.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.769 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.7 t -92.41 175.81 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.57 116.12 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.519 HG11 ' CD ' ' A' ' 78' ' ' LYS . 88.1 t -57.08 131.55 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 13' ' ' SER . 35.6 m -112.38 168.27 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -134.03 136.14 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -139.67 171.44 14.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -138.71 148.76 44.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.1 p -80.51 179.66 7.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.14 168.24 9.49 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.9 8.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.598 ' HA ' HD13 ' A' ' 21' ' ' ILE . 1.7 p-10 -51.84 -53.79 36.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -125.58 154.24 42.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -134.29 -81.62 0.16 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 t 61.5 91.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.23 97.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.18 157.86 31.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.753 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t -108.31 89.84 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.64 -112.43 0.53 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.16 151.33 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.786 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -178.53 101.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.86 155.03 6.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.55 39.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -66.75 -178.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.4 ttt -62.67 119.6 52.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.476 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 -170.53 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.1 138.07 39.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.25 144.29 4.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.414 ' O ' HG21 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 135.29 18.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 27' ' ' GLN . 2.3 m -90.07 -177.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.6 tp -136.37 86.63 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.557 HG23 ' HB2' ' A' ' 27' ' ' GLN . 46.8 p -55.85 -57.05 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.89 137.31 44.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.745 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -112.07 115.16 28.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -94.28 -173.33 38.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.475 HG21 ' HB2' ' A' ' 103' ' ' ASP . 38.3 mt -87.49 -43.54 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 p -121.41 24.01 10.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.501 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 60.4 p-90 -159.23 155.87 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 19' ' ' ALA . 71.6 mt -141.74 115.73 9.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.81 101.9 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.604 HD12 HD21 ' A' ' 44' ' ' LEU . 19.6 mt -94.69 162.61 13.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.662 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -150.48 111.28 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.465 ' CZ3' HD13 ' A' ' 44' ' ' LEU . 39.4 p90 -115.01 164.0 14.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 107.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -124.7 165.53 17.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.29 164.51 18.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 162.17 37.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.553 1.818 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.77 125.28 25.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 45.0 84.13 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 p -60.46 157.69 34.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 36' ' ' SER . 18.2 Cg_endo -75.02 55.87 4.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER 39.28 85.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 166.6 103.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.4 163.05 21.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.06 19.24 22.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.64 151.05 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.401 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 15.1 m -117.19 161.69 19.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 4.0 m-85 -142.08 127.77 19.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.9 mt -99.74 121.1 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.604 HD21 HD12 ' A' ' 26' ' ' LEU . 28.9 tp -88.75 114.7 25.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.658 ' CD ' HD12 ' A' ' 82' ' ' ILE . 31.0 mp0 -108.02 156.83 18.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 21.1 ttp -152.12 127.91 10.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -124.72 138.62 54.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -179.24 -39.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -176.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 50' ' ' THR . 13.6 t -96.16 55.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.4 p -84.8 149.4 25.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.33 51.36 0.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -151.96 -45.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 0.726 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.49 -135.18 7.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.599 ' CD2' ' CE ' ' A' ' 80' ' ' LYS . 5.3 m-85 -82.09 133.49 35.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 4.9 mmmt -112.54 147.44 37.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.04 141.02 26.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.35 -43.59 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.6 t80 -115.36 154.11 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.35 84.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.04 171.89 30.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.55 36.3 1.39 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 0.734 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.22 157.2 17.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.5 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 13.5 mt -104.09 27.48 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -175.36 141.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 48.4 t80 -145.23 153.46 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 m -104.84 94.91 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 58.8 t -62.04 142.72 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -134.76 167.42 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 69.89 64.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.417 HD13 HD12 ' A' ' 24' ' ' LEU . 43.2 mt -125.45 -175.67 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -119.05 148.15 43.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' CB ' HG23 ' A' ' 21' ' ' ILE . 11.6 ptt-85 -70.09 147.21 50.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.0 p 39.63 67.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -143.83 165.02 28.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.421 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' N ' ' CG2' ' A' ' 75' ' ' THR . 0.2 OUTLIER -116.98 145.47 43.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -147.19 146.76 29.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -98.94 142.17 30.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 92.3 m-85 -140.45 149.37 42.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.692 ' HB3' HG22 ' A' ' 95' ' ' VAL . 5.4 ptpt -146.48 130.4 17.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.435 HG13 ' HG2' ' A' ' 11' ' ' PRO . 1.1 p -89.85 130.29 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.658 HD12 ' CD ' ' A' ' 45' ' ' GLU . 8.5 mt -120.64 118.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.476 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -92.09 116.19 28.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.494 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -123.39 162.28 23.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.9 OUTLIER -123.71 150.61 44.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.4 t -42.7 -26.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 85' ' ' ASN . 2.6 mt-10 -74.09 -47.64 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.78 -155.8 9.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -130.45 153.48 48.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -162.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -81.26 152.79 71.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.462 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.99 159.31 41.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.68 -179.71 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.068 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.73 129.21 40.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.692 HG22 ' HB3' ' A' ' 80' ' ' LYS . 45.7 t -78.37 122.05 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 14' ' ' PRO . 35.5 m -101.16 162.78 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 144.49 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 19.5 m-85 -145.2 170.72 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -134.35 146.73 50.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.358 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 p -78.33 -179.76 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.92 168.54 12.84 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.53 40.88 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.475 ' HB2' HG21 ' A' ' 21' ' ' ILE . 3.2 t70 -126.8 160.23 31.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.5 t 64.01 141.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 84.32 90.28 0.79 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 141.37 26.51 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.1 m 61.94 102.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -144.07 124.54 13.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.38 -74.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.777 . . . . 0.0 110.043 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.81 -61.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.43 75.86 0.15 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 m -107.49 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.17 141.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.027 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.35 -123.16 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.87 31.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.76 172.17 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.4 ttt -58.18 115.57 11.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.503 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.06 164.0 34.12 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.89 135.92 35.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.34 147.18 1.03 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.35 31.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.523 ' CG2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -108.98 165.14 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.014 HD21 ' HB2' ' A' ' 19' ' ' ALA . 5.9 tp -114.06 114.53 26.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.0 p -80.92 -48.38 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.69 129.11 22.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.014 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -101.67 117.84 35.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -97.73 177.33 31.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.47 HG21 ' HB2' ' A' ' 103' ' ' ASP . 33.6 mt -80.26 -43.77 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.8 p -123.46 27.6 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.436 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 64.7 p-90 -161.14 153.1 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.542 HD21 HG22 ' A' ' 100' ' ' THR . 41.3 mt -138.42 112.36 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.13 101.85 13.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.732 HD12 HD11 ' A' ' 44' ' ' LEU . 7.6 mt -88.88 175.02 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' VAL . 1.4 tt0 -158.47 123.88 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.1 p90 -133.75 161.2 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 108.035 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -132.2 166.14 22.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 160.1 75.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 155.58 42.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.63 128.22 35.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.6 102.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 p -82.71 156.07 68.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.1 4.15 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.516 1.798 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 71.8 m 41.06 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 36' ' ' SER . 0.6 OUTLIER 159.31 102.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -88.58 93.07 9.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.265 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.99 36.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.2 mt -86.12 147.85 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.458 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -114.7 170.57 8.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -145.6 125.15 13.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.524 HD11 ' CD2' ' A' ' 84' ' ' TYR . 13.7 mt -100.73 124.99 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.732 HD11 HD12 ' A' ' 26' ' ' LEU . 20.4 tp -92.47 117.49 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' HG3' HD12 ' A' ' 82' ' ' ILE . 10.2 mt-10 -104.46 164.37 11.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -161.14 135.36 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -119.16 140.96 49.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.07 162.23 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.97 3.01 33.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.2 p -117.15 120.2 37.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.01 142.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.68 113.37 4.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -160.21 85.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.25 -178.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.55 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 23.8 m-85 -67.19 130.47 43.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -124.1 148.55 57.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 126.07 9.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -34.76 7.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 72.6 t80 -124.22 152.51 42.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.58 83.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.76 -171.5 18.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -110.42 49.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.09 154.99 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -105.61 28.57 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.9 143.2 3.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 87.8 t80 -151.09 158.99 44.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 m -120.95 100.01 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.351 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.77 145.65 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -138.11 163.48 31.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 72.42 62.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.5 HD13 HD12 ' A' ' 24' ' ' LEU . 51.2 mt -120.06 -171.3 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -126.61 150.81 48.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.434 ' CB ' ' HB3' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -70.9 148.89 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 81.1 p 39.58 71.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.3 m -147.94 160.4 42.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.16 152.29 29.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -154.68 141.12 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -95.71 144.35 26.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -139.56 146.06 39.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HE3' ' CD1' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -146.99 124.76 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 p -80.17 133.55 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.47 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 13.0 mt -123.38 113.01 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.503 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.67 122.79 33.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -131.67 159.94 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 5.0 t-20 -123.94 153.45 41.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -46.92 -24.78 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -76.44 -47.4 23.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.33 -174.67 37.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 153.2 32.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.53 -171.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.936 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -75.51 154.9 85.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.97 160.04 40.73 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -92.62 167.3 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -45.8 128.3 8.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.235 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 80' ' ' LYS . 88.7 t -71.98 130.83 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -116.54 165.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -130.15 157.21 43.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -154.24 158.95 41.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -120.88 148.9 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.542 HG22 HD21 ' A' ' 24' ' ' LEU . 24.5 p -92.89 -175.99 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.1 m -95.59 166.66 14.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.253 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.43 35.15 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.47 ' HB2' HG21 ' A' ' 21' ' ' ILE . 5.1 t0 -115.41 145.2 42.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.86 75.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.03 -85.68 0.68 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.26 42.89 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.9 p -141.32 93.22 2.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.83 108.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t 58.63 94.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.784 . . . . 0.0 109.972 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.26 153.39 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.53 -175.8 44.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.125 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.492 ' CB ' ' OE1' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -141.77 145.12 34.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.756 . . . . 0.0 109.998 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.41 120.34 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.7 -157.04 24.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.098 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.74 19.5 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.808 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.65 170.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.7 ttt -57.27 116.92 15.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.51 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.04 169.85 21.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.86 136.48 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.57 145.93 7.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 126.45 9.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.519 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.4 m -80.74 -170.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.6 tp -138.62 89.85 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.8 p -60.63 -60.18 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.55 129.17 40.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.629 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -104.49 116.41 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.18 -175.65 37.67 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.568 HG21 ' HA ' ' A' ' 103' ' ' ASP . 19.6 mt -86.31 -43.86 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 p -121.87 23.32 10.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.427 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.51 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 66.4 p-90 -156.13 153.92 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 108.026 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 HD13 ' A' ' 71' ' ' LEU . 58.0 mt -139.1 122.08 16.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.03 101.99 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.843 HD12 HD21 ' A' ' 44' ' ' LEU . 65.2 mt -97.61 160.97 13.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -144.23 114.13 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.739 ' CG ' HG21 ' A' ' 81' ' ' VAL . 41.9 p90 -118.54 159.72 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 107.96 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.2 175.61 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -109.49 170.87 4.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.547 ' HG2' HG22 ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.05 149.0 35.86 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.32 -81.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.02 99.11 2.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.547 HG22 ' HG2' ' A' ' 31' ' ' PRO . 1.3 p -79.38 157.23 75.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.753 . . . . 0.0 110.381 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.469 ' HD2' HD11 ' A' ' 40' ' ' ILE . 18.4 Cg_endo -75.01 152.88 41.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 m -52.16 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -174.64 -56.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER 60.8 134.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.67 19.33 8.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.469 HD11 ' HD2' ' A' ' 35' ' ' PRO . 20.7 mt -53.48 151.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.0 p -126.7 168.49 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -140.67 120.94 13.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.547 HG23 ' O ' ' A' ' 59' ' ' TYR . 88.3 mt -97.38 111.41 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.843 HD21 HD12 ' A' ' 26' ' ' LEU . 18.8 tp -68.89 109.96 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' OE1' ' CD1' ' A' ' 82' ' ' ILE . 4.0 mt-10 -94.54 164.06 13.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.86 133.28 4.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.512 ' HB2' ' CG ' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -119.29 114.68 22.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 173.59 96.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 178.16 170.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.405 ' O ' ' CG2' ' A' ' 50' ' ' THR . 0.5 OUTLIER -38.8 119.09 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 50' ' ' THR . 0.5 OUTLIER 78.89 -54.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.84 -60.85 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 39.74 86.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 42.84 -166.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.593 ' CG ' ' CE ' ' A' ' 80' ' ' LYS . 11.6 m-85 -91.86 165.12 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 11.1 mmmt -133.33 147.91 66.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -74.99 153.43 41.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.67 -59.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.56 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 46.7 t80 -105.69 151.95 23.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.6 85.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.2 172.13 28.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.1 47.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -119.52 145.85 45.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.422 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 29.6 mt -93.36 35.82 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -178.0 134.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 47.6 t80 -145.58 155.83 43.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 m -113.35 94.48 4.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 17.4 t -60.38 132.8 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.93 167.19 12.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.943 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.6 m-20 65.07 84.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.943 HD23 ' O ' ' A' ' 70' ' ' ASN . 21.6 mt -142.82 -176.74 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -116.68 151.74 35.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -77.35 151.86 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.78 70.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.8 m -150.21 165.07 34.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.11 149.38 42.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -148.87 153.82 38.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -109.0 128.29 54.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -125.7 161.0 28.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.593 ' CE ' ' CG ' ' A' ' 55' ' ' PHE . 3.2 ptpt -156.99 135.54 11.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.739 HG21 ' CG ' ' A' ' 28' ' ' TRP . 2.2 p -92.63 113.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.555 HD11 ' HD2' ' A' ' 80' ' ' LYS . 5.4 mt -104.74 123.06 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -100.58 114.76 28.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.484 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -123.25 161.96 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.416 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 48.5 t30 -123.43 149.6 44.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.36 -24.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 110.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.492 ' OE1' ' CB ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -76.76 -47.33 22.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -165.44 -166.68 24.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.12 179.14 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.29 -168.0 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -76.95 145.53 74.14 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -75.0 158.12 42.4 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.6 p -81.29 168.59 18.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.441 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -56.6 117.04 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.5 t -57.38 116.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 94' ' ' GLU . 35.5 m -100.58 164.0 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -129.92 139.09 51.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 16.2 m-85 -145.24 161.45 39.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -128.0 152.12 48.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.3 p -88.54 -176.19 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -101.72 166.44 12.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.06 11.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.568 ' HA ' HG21 ' A' ' 21' ' ' ILE . 17.3 p-10 -58.73 163.92 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.1 t -93.35 91.53 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.68 164.37 6.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 127.62 10.78 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -130.09 123.23 29.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.51 110.9 22.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t 66.25 136.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.02 164.44 11.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.96 -82.64 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.32 92.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.5 101.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.53 -104.9 2.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.14 22.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.47 170.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.97 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.422 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 11.9 ttt -65.7 125.11 89.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.95 -171.3 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.8 137.48 42.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.61 146.1 0.77 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.983 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.4 9.93 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 27' ' ' GLN . 1.6 m -82.29 -176.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.7 tp -139.61 99.74 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.0 p -65.55 -54.77 23.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.01 142.94 47.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.701 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -112.04 114.29 27.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.86 166.75 25.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.7 mt -68.54 -46.21 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -121.31 15.38 11.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 62.6 p-90 -145.33 153.54 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD12 HD13 ' A' ' 71' ' ' LEU . 77.0 mt -141.59 116.5 9.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.51 106.28 18.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.468 HD12 HD21 ' A' ' 44' ' ' LEU . 19.2 mt -99.83 169.24 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.616 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -154.54 117.18 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.524 ' CG ' HG21 ' A' ' 81' ' ' VAL . 37.4 p90 -126.57 160.1 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.65 176.17 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 160.82 80.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 64.18 5.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' THR . 2.4 m 48.29 -175.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -39.94 95.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.537 HG21 ' CD1' ' A' ' 40' ' ' ILE . 1.8 p -66.07 157.35 81.15 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.19 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 8.2 t -76.37 -53.5 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 36' ' ' SER . 6.9 t70 79.12 74.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -146.7 -168.93 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.71 73.36 2.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.092 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.537 ' CD1' HG21 ' A' ' 34' ' ' THR . 39.1 mt -69.73 139.05 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.3 m -106.07 167.2 9.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.025 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 5.2 m-85 -143.63 127.1 16.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 59' ' ' TYR . 12.6 mt -98.43 117.35 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.468 HD21 HD12 ' A' ' 26' ' ' LEU . 22.7 tp -81.4 112.86 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -97.4 163.6 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.237 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.54 128.7 5.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HB2' ' CD2' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -117.37 116.3 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HG3' ' CD1' ' A' ' 77' ' ' TYR . 9.1 tm-20 -177.89 115.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 173.37 174.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.327 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.2 p -44.76 -59.17 2.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.62 -60.25 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.7 -74.86 2.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 38.96 90.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.85 158.15 21.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.55 ' CD1' ' HE2' ' A' ' 80' ' ' LYS . 4.7 m-85 -82.91 165.91 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 6.3 mmtp -133.4 148.58 69.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.03 147.67 34.14 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -125.36 -50.98 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.536 ' O ' HG23 ' A' ' 43' ' ' ILE . 42.5 t80 -115.64 158.32 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -158.54 83.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.19 171.05 30.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 36.29 1.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.5 152.79 23.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.73 30.4 4.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.47 137.95 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 71.0 t80 -148.44 159.06 44.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.7 m -118.57 93.63 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.681 HG12 HD21 ' A' ' 71' ' ' LEU . 69.4 t -61.56 108.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -99.51 -176.25 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.764 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.2 m120 53.91 78.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 70' ' ' ASN . 22.1 mt -138.0 -177.35 4.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -119.82 161.27 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 150.09 24.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.95 70.6 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.157 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 76' ' ' LYS . 85.4 m -150.29 171.69 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.472 ' N ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -120.65 146.88 45.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.414 ' CD1' ' HG3' ' A' ' 48' ' ' GLU . 23.7 m-85 -150.2 142.3 24.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.509 ' CD ' HG11 ' A' ' 95' ' ' VAL . 5.5 ttmt -95.23 150.64 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -151.6 138.65 19.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HE2' ' CD1' ' A' ' 55' ' ' PHE . 2.0 pttt -140.09 133.0 29.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.524 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -90.57 114.18 27.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 8.4 mt -106.48 117.79 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -93.36 117.21 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.17 163.07 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.41 152.18 41.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.3 m -50.12 -22.07 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.43 -45.41 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.7 -166.31 25.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.94 178.08 4.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.19 -167.06 1.93 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -80.32 145.58 60.18 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.0 156.97 43.02 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.422 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 17.8 m -88.23 175.91 7.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.85 127.85 32.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.509 HG11 ' CD ' ' A' ' 78' ' ' LYS . 71.6 t -71.82 116.38 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.3 m -103.71 177.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -143.48 154.62 43.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.589 ' CD1' HD22 ' A' ' 16' ' ' LEU . 23.6 m-85 -149.3 156.07 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 m -123.97 163.94 20.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 20' ' ' GLY . 43.0 p -111.36 175.1 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.86 168.65 17.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 108.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.04 41.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -140.96 160.06 40.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.38 -56.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.45 102.4 0.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.5 17.91 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.4 m -69.37 162.98 26.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.6 88.45 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 t -162.57 105.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.62 149.73 26.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.79 136.93 13.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -162.18 137.79 7.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.99 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.26 128.36 35.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.043 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.06 -135.5 8.35 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 136.63 20.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.66 168.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 8.1 ttt -56.4 127.08 71.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.529 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.94 -179.03 4.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.19 138.58 32.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.66 144.99 2.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 127.98 11.11 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 27' ' ' GLN . 1.9 m -85.41 -176.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.721 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.7 tp -141.27 103.86 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.491 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 41.1 p -73.24 -51.79 16.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 134.17 35.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.721 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -111.43 117.44 33.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.515 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -93.97 -176.14 39.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.103 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 103' ' ' ASP . 21.5 mt -83.5 -41.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 p -124.88 21.26 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.515 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 65.6 p-90 -153.97 154.24 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD12 HD13 ' A' ' 71' ' ' LEU . 37.7 mt -143.27 123.85 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.48 101.48 12.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 11.2 mt -96.57 158.29 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.674 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.6 tt0 -138.68 121.38 16.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -132.22 158.98 40.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.025 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.43 159.66 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -55.67 166.34 1.03 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 141.85 27.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.56 -49.27 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.025 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.97 66.27 2.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.413 ' OG1' ' HD2' ' A' ' 35' ' ' PRO . 0.5 OUTLIER -138.42 164.82 37.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 110.424 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD2' ' OG1' ' A' ' 34' ' ' THR . 18.5 Cg_endo -74.96 118.09 5.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.8 p -39.63 109.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.946 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -131.7 -47.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 37' ' ' ASP . 24.3 tt0 60.44 128.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' ILE . . . 106.08 -17.03 41.84 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' GLY . 8.5 mt -39.83 147.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -103.35 176.41 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.495 ' OH ' ' CB ' ' A' ' 30' ' ' LYS . 21.3 m-85 -149.88 135.52 18.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.461 HD11 ' CD2' ' A' ' 84' ' ' TYR . 15.2 mt -102.43 116.35 45.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.2 tp -87.5 108.67 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.26 160.15 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.552 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 19.6 ttp -153.86 124.34 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.545 ' HB2' ' CD2' ' A' ' 55' ' ' PHE . 2.5 tm-20 -120.47 116.21 24.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -173.94 101.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.58 -45.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.1 p -139.05 -60.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.24 172.03 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.88 122.46 9.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -156.6 -62.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.0 132.51 2.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.545 ' CD2' ' HB2' ' A' ' 47' ' ' GLU . 4.3 m-85 -79.97 164.07 23.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.773 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 6.6 mmmt -132.73 145.91 59.14 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -74.99 148.39 35.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 -48.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.527 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 69.4 t80 -114.61 157.4 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -164.23 78.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.99 178.15 26.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -99.28 51.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -121.09 154.49 36.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 mt -105.27 25.66 10.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.085 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.68 140.41 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.527 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 88.3 t80 -147.82 157.99 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.8 m -113.33 94.53 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.784 HG12 HD21 ' A' ' 71' ' ' LEU . 75.6 t -64.66 97.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -86.57 175.39 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.941 ' O ' HD23 ' A' ' 71' ' ' LEU . 20.7 t30 60.7 83.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.941 HD23 ' O ' ' A' ' 70' ' ' ASN . 20.4 mt -142.75 -178.17 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -117.86 140.83 49.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 136.64 58.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.86 76.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.5 m -148.54 138.98 22.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.12 150.16 33.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.545 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 2.7 m-85 -155.5 133.69 11.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -95.77 136.73 35.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.552 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 67.5 m-85 -139.51 143.93 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.521 ' HE2' ' CD1' ' A' ' 55' ' ' PHE . 0.9 OUTLIER -141.56 132.16 25.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.529 HG13 ' HG2' ' A' ' 11' ' ' PRO . 1.1 p -89.41 132.3 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.438 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 9.2 mt -124.22 116.79 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -91.06 123.4 34.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -131.64 162.12 31.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.8 OUTLIER -123.71 150.82 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.74 -26.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 85' ' ' ASN . 62.1 mt-10 -73.85 -47.63 36.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.95 -156.42 10.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 156.67 45.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.59 -164.1 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -80.24 154.03 74.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.97 164.76 32.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.769 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.452 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 8.6 t -97.71 179.33 4.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.3 124.15 17.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 80' ' ' LYS . 90.2 t -72.55 118.23 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 32.5 m -102.17 179.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -146.89 141.39 26.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 11.0 m-85 -141.4 154.03 45.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -117.71 148.23 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.4 p -83.52 176.36 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.86 167.52 15.11 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.324 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 131.72 14.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.436 ' HA ' HD13 ' A' ' 21' ' ' ILE . 12.7 p-10 -61.12 109.28 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.0 p -111.61 143.76 41.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 177.05 157.74 18.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 64.95 6.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.7 t -73.66 142.84 46.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.17 -57.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.57 168.13 15.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -166.14 -55.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.58 139.72 5.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.69 145.61 43.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -135.28 98.18 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.72 -128.68 2.47 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.65 13.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.64 179.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.9 ttt -63.54 116.71 28.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.03 168.56 24.54 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.43 142.53 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.509 ' HB2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -51.0 145.53 11.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.024 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.75 12.64 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.553 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.3 m -84.57 -174.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.408 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 2.9 tp -139.13 92.0 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 27' ' ' GLN . 32.4 p -66.28 -59.06 4.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.82 137.63 52.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.8 119.52 39.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -96.98 169.12 25.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.711 HD13 ' OD1' ' A' ' 103' ' ' ASP . 74.1 mt -73.49 -45.52 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 p -121.79 24.17 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.9 p-90 -157.47 158.81 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.621 HD21 HG22 ' A' ' 100' ' ' THR . 52.5 mt -140.92 128.5 21.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -104.92 100.14 9.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.707 HD12 HD21 ' A' ' 44' ' ' LEU . 29.9 mt -94.68 168.17 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -148.57 116.99 6.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.527 ' CG ' HG21 ' A' ' 81' ' ' VAL . 41.9 p90 -123.45 166.29 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.08 164.71 24.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 1.4 pttt -88.43 161.07 43.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HG2' HG22 ' A' ' 34' ' ' THR . 18.4 Cg_endo -75.03 176.64 9.66 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 t -83.45 143.31 30.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 39.1 79.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.59 ' HB ' HD11 ' A' ' 40' ' ' ILE . 1.3 p -79.07 152.21 76.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 110.411 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -46.82 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -43.8 166.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 38' ' ' GLU . 12.3 t0 -96.82 67.83 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER 60.26 126.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.337 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.05 105.96 2.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.59 HD11 ' HB ' ' A' ' 34' ' ' THR . 30.1 mt -129.27 143.1 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.5 p -110.02 150.78 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.495 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 3.9 m-85 -136.39 134.05 37.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mt -96.35 120.2 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.707 HD21 HD12 ' A' ' 26' ' ' LEU . 38.5 tp -90.11 108.25 19.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -96.68 162.46 13.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 18.4 ttp -155.51 132.82 10.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HB2' ' CG ' ' A' ' 55' ' ' PHE . 2.9 tt0 -117.81 134.77 54.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.247 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -77.24 -169.54 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' THR . 1.1 tt0 -118.18 -58.76 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' GLU . 75.1 p -38.38 -67.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.4 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 p -101.07 -67.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.14 -68.49 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 51.88 25.61 3.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 0.794 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.68 175.83 51.08 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.422 1.076 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.5 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 12.6 m-85 -83.43 144.73 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.734 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -128.77 149.09 71.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.64 19.34 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.48 -42.1 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 53.5 t80 -113.04 164.07 13.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -174.63 84.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.2 -178.12 23.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.08 39.04 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.55 151.58 37.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 42.2 mt -93.11 27.19 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.64 156.36 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 25.0 t80 -157.04 158.83 37.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.4 m -115.8 94.75 4.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.63 146.5 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.35 169.26 17.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.574 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.5 m-20 62.93 72.71 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 70' ' ' ASN . 28.8 mt -133.7 -168.24 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -130.92 148.11 52.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 149.63 47.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.69 71.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.1 m -150.3 144.86 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.18 150.29 20.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -153.95 146.25 23.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.431 ' HB3' ' CG1' ' A' ' 95' ' ' VAL . 33.0 mtpt -100.69 131.85 46.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 26.9 m-85 -123.64 155.04 38.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.5 ' HE3' ' CD1' ' A' ' 55' ' ' PHE . 2.0 pttp -152.69 129.39 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.9 p -87.05 123.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.426 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 12.3 mt -114.77 112.67 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.434 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.39 130.26 36.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.509 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -139.79 160.51 39.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 1.0 OUTLIER -123.78 152.03 42.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -44.96 -26.09 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 85' ' ' ASN . 1.3 mt-10 -77.15 -47.0 21.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.17 175.09 46.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -105.53 163.53 12.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.753 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.44 -165.08 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -77.64 152.65 80.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.95 163.08 36.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 t -93.61 -176.56 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.38 129.97 43.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 78' ' ' LYS . 83.2 t -73.83 118.48 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 13' ' ' SER . 24.7 m -101.02 169.2 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.555 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.8 tt0 -131.68 152.43 50.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.555 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 19.7 m-85 -151.69 176.77 11.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 m -138.74 149.5 45.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.621 HG22 HD21 ' A' ' 24' ' ' LEU . 43.3 p -96.99 162.97 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.421 ' HB2' ' CG1' ' A' ' 21' ' ' ILE . 1.4 m -53.03 164.55 0.7 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.288 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -45.07 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.711 ' OD1' HD13 ' A' ' 21' ' ' ILE . 13.5 t0 74.64 -58.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.44 161.48 13.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 177.97 -174.24 46.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -43.71 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.6 p -62.43 124.95 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m 62.6 121.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -157.5 91.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.976 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.77 -58.86 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.01 -145.86 8.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -77.36 96.38 4.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 0.724 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 p -108.79 -60.17 1.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.13 -136.69 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 138.87 23.68 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.553 1.817 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.19 174.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 ttt -69.09 122.45 85.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.486 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.6 Cg_endo -74.93 173.17 14.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.99 138.3 31.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.25 145.51 1.83 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 125.73 9.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.798 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 27' ' ' GLN . 2.5 m -81.83 -178.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.68 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.1 tp -134.07 88.49 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -58.96 -59.15 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.429 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.1 133.51 44.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.68 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -105.8 118.1 35.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.67 176.32 33.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.612 HG21 ' HB2' ' A' ' 103' ' ' ASP . 18.2 mt -78.05 -43.0 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 0.744 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.5 p -125.12 22.0 7.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.4 p-90 -153.91 155.9 36.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD21 HG22 ' A' ' 100' ' ' THR . 58.3 mt -142.63 117.95 10.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.99 100.69 13.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.531 HD12 HD21 ' A' ' 44' ' ' LEU . 56.9 mt -94.59 161.82 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.487 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -143.74 112.57 6.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.539 ' CG ' HG21 ' A' ' 81' ' ' VAL . 40.6 p90 -114.58 160.59 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 107.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 m -119.94 171.75 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -69.75 161.65 73.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 163.6 34.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.23 126.98 29.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.044 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 42.03 90.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 p -66.05 157.5 80.42 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.67 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.551 1.816 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.12 155.18 28.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.933 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.94 48.98 1.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -95.71 37.5 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.32 108.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.4 mt -103.07 140.07 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -118.31 156.99 27.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.49 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 7.7 m-85 -133.59 129.56 37.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.7 mt -97.77 122.66 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.531 HD21 HD12 ' A' ' 26' ' ' LEU . 23.3 tp -90.02 108.06 19.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -94.2 160.47 14.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.5 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 29.0 ttp -161.78 121.42 2.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.54 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 2.7 tm-20 -126.52 118.93 25.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -92.73 -177.28 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 72.52 -175.72 0.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.4 p -62.05 142.27 57.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 47.07 -173.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.85 -109.13 3.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 49.66 99.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.93 3.94 8.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 47' ' ' GLU . 10.2 m-85 -40.67 108.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 15.6 mmtt -91.38 147.89 36.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.1 Cg_endo -75.02 148.93 35.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -46.27 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.583 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 45.5 t80 -115.02 155.94 26.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.53 80.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.47 171.83 25.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.48 44.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.93 151.61 37.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.49 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 18.8 mt -98.06 31.28 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.51 145.13 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 70.4 t80 -154.43 159.08 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -118.21 104.29 10.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.32 149.33 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -143.62 165.53 27.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 69.68 60.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 mt -121.44 -176.24 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -122.44 149.16 44.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 137.11 54.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.01 79.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -149.75 132.71 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 127.14 32.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.5 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 7.5 m-85 -136.21 149.9 48.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -111.78 151.17 29.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 46' ' ' MET . 97.0 m-85 -150.31 137.99 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HB3' HG22 ' A' ' 95' ' ' VAL . 1.2 ptpt -140.24 127.91 21.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.1 p -82.58 132.72 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.46 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 4.6 mt -124.17 114.61 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -92.68 115.23 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -122.95 161.09 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER -123.7 151.63 42.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -25.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -78.06 -47.12 19.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.56 174.54 45.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -104.12 157.5 17.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.81 -168.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.952 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -74.07 150.37 87.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.46 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.0 159.17 41.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 t -90.49 159.88 16.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -40.92 135.93 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.426 HG11 ' CD ' ' A' ' 78' ' ' LYS . 65.2 t -79.42 124.4 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.3 m -107.99 169.31 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.41 145.87 50.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -145.08 174.13 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 100' ' ' THR . 4.3 m -139.22 166.53 24.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.443 HG22 HD21 ' A' ' 24' ' ' LEU . 58.2 p -115.64 167.14 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.94 166.77 1.26 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.279 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -42.24 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.612 ' HB2' HG21 ' A' ' 21' ' ' ILE . 0.0 OUTLIER 62.01 155.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 m 60.68 85.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.956 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -177.23 126.16 1.08 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.68 15.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.5 m 46.87 83.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 t 67.4 133.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.956 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 m -60.53 141.18 56.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 63.7 153.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.69 163.98 11.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -62.67 88.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.8 p -71.65 89.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.76 152.66 5.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 154.24 42.59 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.565 1.824 . . . . 0.0 111.041 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -179.58 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.054 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.3 ttt -66.48 122.37 81.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.56 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.01 172.17 16.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.17 136.52 33.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.02 143.64 4.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.607 ' O ' HG21 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.97 130.09 12.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.497 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.8 m -89.5 -174.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.826 HD21 ' HB2' ' A' ' 19' ' ' ALA . 5.2 tp -133.89 88.46 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.455 HG23 ' HB2' ' A' ' 27' ' ' GLN . 43.8 p -55.98 -60.44 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.01 129.51 34.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.826 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -104.64 117.6 34.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.519 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.95 -169.99 35.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.142 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 101' ' ' CYS . 11.5 mt -89.47 -43.21 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.8 p -123.08 30.44 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.519 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.6 p-90 -164.77 154.96 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.962 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.508 HD12 HD13 ' A' ' 71' ' ' LEU . 48.6 mt -141.39 115.33 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.68 99.96 12.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.995 HD12 HD21 ' A' ' 44' ' ' LEU . 23.1 mt -93.78 161.57 14.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.497 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -144.92 117.89 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.691 ' CG ' HG21 ' A' ' 81' ' ' VAL . 41.1 p90 -124.46 159.57 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -125.37 166.19 17.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 163.18 18.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 152.57 40.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 p -59.77 134.09 56.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.95 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 44.29 85.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.431 ' OG1' ' HD2' ' A' ' 35' ' ' PRO . 0.5 OUTLIER -122.09 164.14 27.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 0.0 110.442 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.431 ' HD2' ' OG1' ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.0 -75.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.6 t -69.24 111.86 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -63.9 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.7 115.79 25.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.09 -19.59 1.09 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.35 150.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.9 m -119.92 151.0 39.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 3.3 m-85 -134.88 133.68 39.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.8 mt -99.62 121.34 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.995 HD21 HD12 ' A' ' 26' ' ' LEU . 28.1 tp -88.37 102.42 14.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.68 ' OE1' HD12 ' A' ' 82' ' ' ILE . 37.4 mp0 -95.46 160.19 14.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.558 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.93 133.63 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.582 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -144.0 156.34 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.42 146.82 37.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 72.0 171.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.8 p 46.15 -167.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.35 -65.87 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.91 63.1 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -104.77 -1.4 26.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' PHE . . . -126.23 7.08 7.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.582 ' CD1' ' HB2' ' A' ' 47' ' ' GLU . 1.7 m-85 -37.08 115.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -96.85 149.12 35.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.1 Cg_endo -75.04 156.56 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.569 1.826 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.46 -52.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.2 t80 -110.18 148.22 32.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -150.42 79.69 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.44 170.7 26.05 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -97.6 41.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -114.25 150.77 33.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 23.4 mt -97.37 26.66 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -167.22 143.16 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 74.1 t80 -151.59 157.98 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -115.97 99.25 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 49.1 t -62.35 143.44 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.26 170.95 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.503 ' O ' HD23 ' A' ' 71' ' ' LEU . 3.9 m-80 60.11 72.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.508 HD13 HD12 ' A' ' 24' ' ' LEU . 39.9 mt -131.23 -169.01 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.29 144.37 50.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.65 149.45 50.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.68 78.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.5 m -148.03 166.1 28.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.42 116.35 24.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -125.41 147.2 49.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.594 ' HD2' HG11 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -94.88 166.68 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 46' ' ' MET . 79.9 m-85 -162.93 149.91 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.544 ' CE ' ' CD2' ' A' ' 55' ' ' PHE . 6.8 pttt -153.92 131.98 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.691 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -90.42 131.41 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.68 HD12 ' OE1' ' A' ' 45' ' ' GLU . 5.8 mt -123.35 120.51 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.497 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -92.68 114.67 27.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.508 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -123.08 160.68 25.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 88' ' ' GLY . 59.0 m-20 -123.85 152.68 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.5 -27.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 85' ' ' ASN . 47.8 mt-10 -72.57 -47.18 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -171.81 -155.71 11.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -128.35 155.15 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.08 -164.33 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -76.0 149.95 83.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.471 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -74.96 162.98 36.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -95.67 175.96 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.05 133.29 43.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.594 HG11 ' HD2' ' A' ' 78' ' ' LYS . 99.0 t -80.13 125.25 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 14' ' ' PRO . 35.5 m -109.25 164.02 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -130.38 146.12 51.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 19.1 m-85 -148.38 168.72 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 100' ' ' THR . 4.2 m -131.82 166.61 21.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.49 HG22 HD21 ' A' ' 24' ' ' LEU . 12.6 p -111.56 175.95 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -94.3 166.77 14.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.38 29.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -88.07 102.03 14.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.4 p -173.88 133.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.7 89.71 0.61 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 136.93 20.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.1 m 61.23 170.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.05 136.19 8.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.571 1.17 . . . . 0.0 110.983 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.27 116.51 47.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 168.96 23.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.48 136.95 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.48 146.63 3.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.53 16.72 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.781 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.52 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.5 m -89.12 -175.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.7 tp -133.71 86.4 2.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.457 HG23 ' HB2' ' A' ' 27' ' ' GLN . 44.6 p -55.13 -60.91 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.371 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.25 132.72 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -107.84 114.99 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.11 -165.34 35.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.5 mt -93.46 -48.37 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.792 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 p -119.33 31.92 6.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.525 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 63.3 p-90 -165.61 154.49 11.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.046 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.0 mt -142.04 120.57 12.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.75 100.36 12.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.087 HD12 HD21 ' A' ' 44' ' ' LEU . 26.7 mt -94.26 160.0 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -143.12 124.48 14.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CG ' HG21 ' A' ' 81' ' ' VAL . 40.9 p90 -130.51 161.23 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -124.22 170.02 11.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 4.8 ptmt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.412 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 8.5 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.554 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 4.2 m-85 -140.06 134.45 31.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 59' ' ' TYR . 7.3 mt -100.72 119.69 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.087 HD21 HD12 ' A' ' 26' ' ' LEU . 24.1 tp -83.34 117.35 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -102.33 165.14 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.489 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.71 134.64 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.502 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.0 144.67 30.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.802 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' CD ' ' HB3' ' A' ' 46' ' ' MET . 0.1 OUTLIER -122.21 -53.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.603 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 46.9 t80 -113.84 145.22 41.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -149.09 83.83 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.98 -166.09 10.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -119.0 42.83 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.37 148.44 43.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.554 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 41.7 mt -93.11 31.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.93 149.81 3.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.603 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 73.3 t80 -156.35 154.4 30.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m -114.38 95.6 5.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 t -56.57 150.88 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -140.1 171.29 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.475 ' O ' HD23 ' A' ' 71' ' ' LEU . 22.8 t30 60.54 75.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 70' ' ' ASN . 33.3 mt -130.65 -173.22 3.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -124.2 140.57 52.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -60.92 147.57 42.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER 38.96 68.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.6 m -144.6 153.09 41.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 144.97 33.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -147.08 154.66 41.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -100.98 157.2 16.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 46' ' ' MET . 69.6 m-85 -159.58 139.36 11.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.4 ' HE2' HG22 ' A' ' 95' ' ' VAL . 13.2 ptpt -142.44 130.25 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.617 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -78.16 131.46 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 8.0 mt -123.11 113.35 37.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.35 129.99 36.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.472 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -141.94 163.42 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -123.6 160.18 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -20.78 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.71 -47.19 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.42 -158.16 11.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.47 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -133.08 164.33 27.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.45 -165.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -76.99 152.74 82.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.03 164.97 32.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.407 ' CB ' HG12 ' A' ' 81' ' ' VAL . 8.7 t -95.36 176.68 6.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.88 143.73 7.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.452 HG11 ' CD ' ' A' ' 78' ' ' LYS . 94.7 t -88.24 112.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.59 163.02 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -129.75 148.78 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.605 ' CD1' HD22 ' A' ' 16' ' ' LEU . 33.6 m-85 -147.8 162.45 39.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 100' ' ' THR . 2.8 m -123.94 165.47 17.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.4 ' N ' HG22 ' A' ' 99' ' ' THR . 1.9 p -113.84 167.22 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.288 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -68.14 -173.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.7 ttt -80.27 119.93 77.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.497 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.0 167.64 26.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.15 136.94 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.79 147.66 1.56 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.42 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.425 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.0 m -84.5 -178.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tp -134.6 87.78 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 p -59.96 -54.15 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -132.85 151.74 51.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.65 135.68 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.512 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -117.94 162.89 12.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 mt -69.33 -36.56 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -130.6 23.22 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.512 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 69.3 p-90 -155.39 159.75 40.13 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.0 mt -147.09 119.23 8.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.63 99.98 11.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.404 HD22 ' CE2' ' A' ' 98' ' ' PHE . 46.2 mt -96.0 173.48 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -155.21 117.71 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.702 ' CG ' HG21 ' A' ' 81' ' ' VAL . 37.8 p90 -120.5 165.11 15.42 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.71 169.01 13.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 5.2 m-85 -119.43 123.68 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 59' ' ' TYR . 88.6 mt -96.97 115.67 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.444 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 21.6 tp -76.09 137.96 40.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG3' HD12 ' A' ' 82' ' ' ILE . 4.0 mt-10 -117.51 163.55 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.2 ttp -156.75 134.53 10.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 9.9 mmtt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.07 175.78 10.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.26 -46.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 43' ' ' ILE . 55.6 t80 -114.51 160.71 18.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -168.25 80.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.28 175.63 29.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -94.66 40.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -111.63 149.61 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -101.88 32.08 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.99 144.73 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -153.13 148.29 26.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.6 m -109.29 97.29 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 23.9 t -61.04 150.59 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -143.84 -173.78 4.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 51.47 59.97 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.7 mt -121.95 -165.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.0 156.59 43.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 138.63 42.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.12 77.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -150.22 139.35 21.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -77.23 145.1 37.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.421 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 11.0 m-85 -153.74 146.67 24.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 79' ' ' PHE . 3.5 mttt -105.51 162.59 13.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 78' ' ' LYS . 94.0 m-85 -163.02 136.31 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.466 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -141.11 126.17 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.702 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -79.6 129.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.449 HD12 ' HG3' ' A' ' 45' ' ' GLU . 10.3 mt -122.19 116.47 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.497 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -95.45 114.62 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -117.3 162.29 18.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.419 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -123.37 149.34 45.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -45.36 -25.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.054 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.68 -47.21 27.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.91 -162.84 21.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -106.68 -177.6 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.49 -168.07 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -79.71 143.31 58.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.408 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.99 164.12 34.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t -96.05 167.62 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.35 120.55 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.543 HG12 ' HG2' ' A' ' 78' ' ' LYS . 61.2 t -68.57 119.83 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.0 m -101.8 169.42 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -133.07 146.1 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 22.1 m-85 -147.81 169.97 18.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.2 m -138.7 147.32 42.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.9 p -78.7 -175.57 4.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.25 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -81.19 -173.08 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.9 ttt -66.65 116.27 32.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.515 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 166.25 29.6 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.71 137.09 34.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.68 145.53 2.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.04 9.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.53 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.2 m -80.94 -174.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.504 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.0 tp -138.31 92.5 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 p -57.99 -51.72 68.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 110.414 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 154.75 48.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -121.6 119.46 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.515 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -98.85 174.27 27.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 101' ' ' CYS . 8.2 mt -80.72 -33.49 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.1 p -132.12 23.84 4.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.515 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 63.6 p-90 -158.44 155.11 27.99 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.2 mt -140.2 116.13 10.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.71 104.14 16.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.9 mt -98.98 164.68 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.53 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -150.16 117.59 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.57 ' CG ' HG21 ' A' ' 81' ' ' VAL . 38.7 p90 -122.34 163.79 19.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 107.979 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -127.84 175.05 8.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.472 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 27.3 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.608 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 9.7 m-85 -121.86 126.76 49.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.6 mt -97.01 112.68 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.417 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 30.4 tp -76.67 111.52 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.501 ' HG3' HD12 ' A' ' 82' ' ' ILE . 1.9 mt-10 -97.33 163.88 12.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.461 ' HB3' ' CD ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -162.68 144.75 10.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' N ' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.51 38.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.461 ' CD ' ' HB3' ' A' ' 46' ' ' MET . 0.1 OUTLIER -129.03 -50.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.537 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 44.9 t80 -117.69 156.59 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.16 82.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.65 169.69 29.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.23 41.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.09 148.91 32.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.608 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 21.9 mt -99.45 33.03 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.77 140.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.537 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 90.2 t80 -151.69 156.55 40.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.6 m -119.67 103.88 9.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.7 t -68.57 145.85 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -134.59 174.82 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 63.86 66.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.1 mt -124.49 -175.86 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -119.76 147.56 44.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 146.15 55.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.99 74.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 99.0 m -150.22 163.4 38.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.75 154.43 31.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.404 ' CE1' ' HE1' ' A' ' 46' ' ' MET . 33.5 m-85 -153.69 145.29 23.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -100.77 129.65 46.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -129.32 149.31 51.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -145.97 133.96 21.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.57 HG21 ' CG ' ' A' ' 28' ' ' TRP . 2.0 p -88.05 129.45 39.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.501 HD12 ' HG3' ' A' ' 45' ' ' GLU . 5.9 mt -120.01 116.26 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -91.6 117.55 29.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.472 ' CE1' ' HB2' ' A' ' 41' ' ' SER . 0.4 OUTLIER -128.14 163.02 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.77 164.29 19.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 m -54.14 -20.05 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.1 -47.23 13.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.04 -156.31 10.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.569 1.168 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 1.5 pttp -131.26 156.67 45.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.84 -166.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -76.13 150.06 82.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.473 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.01 159.6 41.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -91.15 175.33 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.96 128.15 26.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.3 t -72.77 122.44 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.7 m -101.35 162.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.32 141.95 49.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -144.06 170.78 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -132.33 146.81 52.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.2 p -92.56 177.19 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.588 ' O ' HG23 ' A' ' 21' ' ' ILE . 3.7 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.93 0 N-CA-C 111.009 -0.419 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -69.94 -175.53 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.8 ttt -74.98 120.02 79.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.09 167.39 27.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.08 137.13 34.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 146.4 1.63 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.07 11.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.542 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.2 m -84.13 -170.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.4 tp -141.15 96.39 2.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.537 HG23 ' HB2' ' A' ' 27' ' ' GLN . 41.8 p -65.8 -55.5 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.05 143.95 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -114.82 115.11 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.91 161.12 22.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 101' ' ' CYS . 6.6 mt -67.98 -34.67 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.0 p -131.7 22.67 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.51 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 64.8 p-90 -156.36 153.96 29.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 19' ' ' ALA . 63.5 mt -140.3 121.36 14.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.2 100.91 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 44' ' ' LEU . 54.8 mt -93.09 161.79 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.542 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -143.95 112.61 6.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.428 ' CG ' HG21 ' A' ' 81' ' ' VAL . 39.8 p90 -112.19 163.37 14.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.62 173.68 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.421 ' CE1' HD23 ' A' ' 64' ' ' LEU . 4.0 m-85 -139.96 123.9 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.419 HD11 ' CD2' ' A' ' 84' ' ' TYR . 20.4 mt -96.66 123.48 48.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.785 HD21 HD12 ' A' ' 26' ' ' LEU . 21.3 tp -87.02 110.52 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.525 ' HG3' HD12 ' A' ' 82' ' ' ILE . 17.9 mt-10 -94.24 162.19 13.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.493 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -162.09 140.23 8.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.413 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.0 133.5 16.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.771 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HE3' HG13 ' A' ' 68' ' ' VAL . 5.5 mmmt -102.97 -61.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -108.75 151.75 25.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -146.0 84.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.89 -165.41 12.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -123.15 46.72 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -116.57 154.98 29.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.421 HD23 ' CE1' ' A' ' 42' ' ' TYR . 25.3 mt -99.21 29.05 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.34 147.64 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -156.85 158.78 37.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -117.37 105.28 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.466 HG13 ' HE3' ' A' ' 58' ' ' LYS . 18.7 t -70.54 148.11 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -136.18 172.06 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.733 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.0 m-80 59.26 78.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 70' ' ' ASN . 21.8 mt -136.74 -176.97 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.68 144.92 48.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 142.44 58.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.2 p 42.08 78.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.5 m -147.51 128.01 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.99 124.81 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -132.43 144.41 50.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' CG ' ' HG3' ' A' ' 97' ' ' GLU . 11.0 mtpt -111.31 136.21 50.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 81.4 m-85 -133.7 146.86 51.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.582 ' HB3' HG22 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -143.1 132.12 22.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG13 ' HG2' ' A' ' 11' ' ' PRO . 1.5 p -85.58 132.14 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.525 HD12 ' HG3' ' A' ' 45' ' ' GLU . 6.8 mt -122.93 112.97 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.24 119.46 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -126.83 161.34 28.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.402 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 7.8 t30 -124.0 152.7 42.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -45.54 -25.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.04 -47.33 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.91 176.11 45.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.99 157.64 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.41 -164.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -76.94 150.03 80.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.94 160.44 40.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t -92.1 177.67 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.991 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.71 131.08 48.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 80' ' ' LYS . 92.5 t -77.03 119.56 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.9 m -102.38 167.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 tt0 -133.08 153.66 51.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 35.9 m-85 -153.63 173.18 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 m -138.7 150.14 45.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.7 p -93.14 175.42 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.496 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.291 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -73.11 -174.26 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 ttt -78.26 120.49 81.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.51 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.03 164.43 33.3 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.441 1.758 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.7 136.73 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.462 ' HB3' HG13 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -46.99 146.41 2.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.003 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.498 ' O ' HG21 ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.95 136.3 20.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 27' ' ' GLN . 3.2 m -91.13 -169.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.759 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.3 tp -138.19 87.33 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.425 HG21 ' HG3' ' A' ' 27' ' ' GLN . 43.4 p -56.17 -61.05 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.72 131.28 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -110.28 118.65 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.11 -165.3 31.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 mt -90.51 -47.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.3 p -119.96 31.48 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.35 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 68.4 p-90 -163.35 158.72 21.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 108.01 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.458 HD12 HD13 ' A' ' 71' ' ' LEU . 35.1 mt -147.53 123.38 10.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.0 101.28 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 79' ' ' PHE . 30.7 mt -94.93 165.94 12.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' HG3' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -146.37 125.89 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.6 ' CG ' HG21 ' A' ' 81' ' ' VAL . 49.1 p90 -132.56 165.44 24.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.13 161.56 34.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.617 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -135.5 142.62 45.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.9 mt -108.46 127.42 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 26' ' ' LEU . 20.3 tp -87.55 108.9 19.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.576 ' HG3' HD12 ' A' ' 82' ' ' ILE . 2.8 mt-10 -100.37 149.6 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.41 ' HB3' ' CD ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -156.13 139.23 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 132.6 15.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.429 ' HE3' ' CG1' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -109.25 -54.17 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.438 ' OH ' ' N ' ' A' ' 63' ' ' ASP . 38.8 t80 -111.82 154.08 25.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -159.36 81.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.6 -171.42 17.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -94.66 -9.53 34.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.438 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 10.8 m-20 -71.59 158.55 36.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.617 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 1.3 mt -112.64 23.19 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.8 135.59 15.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -149.4 158.4 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.1 m -119.79 100.62 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.456 ' CG1' HD21 ' A' ' 71' ' ' LEU . 78.4 t -63.31 148.81 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -136.04 168.84 18.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.448 ' O ' HD23 ' A' ' 71' ' ' LEU . 87.4 m-20 61.93 72.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.458 HD13 HD12 ' A' ' 24' ' ' LEU . 49.6 mt -128.7 -166.43 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -122.53 149.34 44.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.29 153.49 31.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 41.09 61.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 76' ' ' LYS . 96.0 m -142.39 169.54 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.445 ' N ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -124.82 151.64 44.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -153.73 142.76 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' HB3' ' CG1' ' A' ' 95' ' ' VAL . 16.2 mtpt -94.96 148.69 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.47 ' CD2' HD11 ' A' ' 26' ' ' LEU . 53.6 m-85 -142.32 144.99 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.536 ' HB3' HG22 ' A' ' 95' ' ' VAL . 1.3 pttp -143.65 125.64 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.6 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.6 p -84.0 126.61 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.576 HD12 ' HG3' ' A' ' 45' ' ' GLU . 9.5 mt -118.09 117.92 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -95.83 118.94 33.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -127.2 162.44 26.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 88' ' ' GLY . 1.6 t-20 -123.6 151.56 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.5 m -48.76 -22.97 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -79.31 -47.45 15.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 85' ' ' ASN . . . -163.8 -164.93 20.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.421 ' CD ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -115.95 -170.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.78 -167.71 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -82.05 146.07 54.47 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.452 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.01 163.91 34.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.557 1.819 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.7 t -96.06 163.91 12.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.39 125.66 8.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 80' ' ' LYS . 91.3 t -69.42 124.8 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 14' ' ' PRO . 34.6 m -102.46 163.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -125.82 144.01 50.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 14.6 m-85 -146.83 165.21 30.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -131.08 155.48 46.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.0 p -96.87 178.1 5.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.436 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 108.337 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -173.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.6 ttt -69.96 117.26 52.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 176.21 10.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.63 139.99 30.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.68 147.56 1.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.04 11.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 27' ' ' GLN . 3.6 m -81.78 -176.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 98' ' ' PHE . 3.2 tp -140.9 95.42 2.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.4 p -66.97 -57.15 7.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.17 146.91 50.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.52 117.45 29.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.511 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -100.42 166.5 19.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.427 HG12 ' CB ' ' A' ' 101' ' ' CYS . 26.0 mt -70.31 -41.79 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.3 p -125.34 23.35 7.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.511 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 65.0 p-90 -155.68 154.13 31.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 108.014 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.406 HD12 HD13 ' A' ' 71' ' ' LEU . 25.9 mt -143.31 114.54 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.41 103.22 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.053 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.967 HD12 HD21 ' A' ' 44' ' ' LEU . 31.1 mt -99.85 164.36 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.795 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -148.96 115.9 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.695 ' CG ' HG21 ' A' ' 81' ' ' VAL . 44.1 p90 -115.64 164.4 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -125.5 164.06 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.58 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 2.9 m-85 -125.69 136.53 53.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.59 HD11 ' CD2' ' A' ' 84' ' ' TYR . 5.3 mt -101.27 112.97 36.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.967 HD21 HD12 ' A' ' 26' ' ' LEU . 20.5 tp -82.14 117.39 22.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.76 161.79 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.3 ttp -162.43 123.67 2.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.16 28.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -48.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.588 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 52.6 t80 -110.33 158.95 17.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.62 77.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.0 171.12 24.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -94.93 46.63 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.32 148.08 45.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.58 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 27.4 mt -95.84 29.13 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.02 141.12 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 72.4 t80 -149.41 153.35 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -112.6 96.91 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.0 t -58.28 147.02 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -134.57 178.83 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.759 ' O ' HD23 ' A' ' 71' ' ' LEU . 0.9 OUTLIER 47.82 85.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 70' ' ' ASN . 29.1 mt -140.57 -164.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -125.49 151.65 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -73.61 137.4 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.354 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.84 79.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.29 142.39 26.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.01 128.89 34.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.499 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 6.3 m-85 -138.23 152.64 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.44 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -110.99 151.49 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 77' ' ' TYR . 87.8 m-85 -150.1 137.34 19.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.4 ' HB3' HG22 ' A' ' 95' ' ' VAL . 8.8 ptpt -139.27 126.08 20.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.695 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.4 p -78.84 127.74 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 11.1 mt -120.93 109.39 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.418 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.42 125.5 35.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -135.94 164.51 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.16 155.07 37.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -20.23 4.4 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -85.43 -47.25 10.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.3 172.34 39.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 2.6 ptmm? -110.74 162.87 14.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.47 -166.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -82.39 155.24 69.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.458 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.98 163.71 34.82 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 t -94.4 177.26 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -55.78 125.7 22.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.44 HG11 ' CD ' ' A' ' 78' ' ' LYS . 75.7 t -70.83 117.77 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.5 m -101.06 171.98 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -132.9 146.65 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.473 ' CE2' HD22 ' A' ' 26' ' ' LEU . 13.0 m-85 -144.71 176.5 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -144.82 147.0 32.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.5 p -88.74 175.09 7.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.427 ' CB ' HG12 ' A' ' 21' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -176.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.5 ttt -57.94 116.59 14.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.4 Cg_endo -75.02 174.48 12.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.57 137.25 32.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.38 147.62 3.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.98 11.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.433 1.754 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.596 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.3 m -86.74 -174.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.9 tp -137.39 103.42 5.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p -74.23 -56.85 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.402 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.42 129.99 38.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.525 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -100.47 116.91 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -96.83 173.29 29.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -75.43 -49.47 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -118.37 24.45 10.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 68.0 p-90 -156.97 154.46 29.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 mt -139.15 116.36 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.04 100.01 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' CE2' ' A' ' 98' ' ' PHE . 57.5 mt -93.66 166.23 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.596 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -149.54 114.06 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.499 ' CG ' HG21 ' A' ' 81' ' ' VAL . 39.1 p90 -120.26 160.67 22.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -126.15 175.75 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.517 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -126.03 131.99 52.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 84' ' ' TYR . 8.1 mt -100.51 122.07 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 26' ' ' LEU . 18.4 tp -87.38 110.48 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -98.36 162.76 13.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.556 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.84 137.12 6.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.493 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.03 140.54 25.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -46.7 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.623 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.1 t80 -115.19 162.77 16.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.67 90.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.04 -173.64 21.2 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -114.23 36.8 3.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -111.84 152.37 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -95.18 31.43 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.93 147.14 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.623 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 53.4 t80 -152.56 158.66 42.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -115.21 98.82 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 5.7 t -65.93 145.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -135.49 179.24 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.686 ' O ' HD23 ' A' ' 71' ' ' LEU . 12.4 m-20 60.99 70.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 70' ' ' ASN . 20.9 mt -134.45 -176.71 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.8 155.43 41.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.9 150.48 45.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.18 75.14 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.9 m -149.04 164.49 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 147.51 44.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -149.68 151.0 32.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -106.77 131.46 53.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 70.7 m-85 -132.5 144.34 50.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.762 ' HB3' HG22 ' A' ' 95' ' ' VAL . 2.5 pttt -139.26 129.2 24.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.499 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.4 p -80.39 127.19 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 10.0 mt -118.36 111.82 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.456 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.31 122.86 33.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.517 ' CE1' ' HB2' ' A' ' 41' ' ' SER . 0.5 OUTLIER -136.6 164.14 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -123.64 163.08 21.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -57.08 -17.16 9.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.09 -47.22 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.26 -168.33 28.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -126.22 158.87 34.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.7 -168.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -74.86 151.99 86.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.1 Cg_endo -75.01 163.55 35.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -97.86 162.41 13.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.47 129.36 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.762 HG22 ' HB3' ' A' ' 80' ' ' LYS . 87.7 t -75.79 118.54 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.5 m -100.76 168.35 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -129.5 153.52 47.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.525 ' CE2' HD22 ' A' ' 26' ' ' LEU . 20.1 m-85 -148.35 174.67 11.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.3 m -138.36 153.98 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.6 p -97.46 -172.72 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 108.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -73.87 -175.11 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.486 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 7.2 ttt -72.12 122.63 87.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.01 -179.71 5.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.96 141.63 29.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.13 146.12 3.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.72 10.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 27' ' ' GLN . 2.9 m -80.93 179.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.653 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.5 tp -135.45 86.18 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.5 p -56.42 -61.27 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.442 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.77 138.35 52.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -113.72 115.7 28.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.511 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.05 -172.9 37.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.623 HG23 ' O ' ' A' ' 101' ' ' CYS . 19.2 mt -87.18 -44.13 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.4 p -121.88 17.74 10.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.511 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.8 p-90 -148.95 156.74 42.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 107.956 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.612 HD12 HD13 ' A' ' 71' ' ' LEU . 33.9 mt -146.45 115.07 6.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.98 100.17 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.447 HD22 ' CE2' ' A' ' 98' ' ' PHE . 49.1 mt -95.65 162.99 13.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.645 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -147.16 113.14 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.659 ' CG ' HG21 ' A' ' 81' ' ' VAL . 33.5 p90 -113.58 160.2 18.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -122.85 166.22 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 4.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.601 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 10.5 m-85 -124.98 121.78 35.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 59' ' ' TYR . 70.4 mt -98.45 120.31 47.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.505 HD23 HG22 ' A' ' 68' ' ' VAL . 21.1 tp -80.52 110.0 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -93.44 164.5 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 1.5 tmm? -159.82 143.63 14.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 58.1 mmtt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -74.96 141.27 26.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -117.33 -48.91 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.371 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.629 ' O ' HG23 ' A' ' 43' ' ' ILE . 28.4 t80 -118.44 160.33 21.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -161.59 86.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.11 170.78 29.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -96.94 44.13 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.55 146.75 43.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.601 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 17.9 mt -96.58 34.68 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.97 134.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 60.1 t80 -145.9 156.22 43.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.9 m -114.6 99.04 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.505 HG22 HD23 ' A' ' 44' ' ' LEU . 61.3 t -67.16 121.9 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -112.2 174.48 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.562 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.6 m-80 65.09 75.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.612 HD13 HD12 ' A' ' 24' ' ' LEU . 42.8 mt -134.56 178.94 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.37 156.56 28.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.46 137.67 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.3 75.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.1 m -145.03 137.27 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.373 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 146.46 29.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 10.4 m-85 -152.36 147.55 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -110.41 134.55 52.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 77' ' ' TYR . 92.4 m-85 -137.09 139.23 41.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.489 ' HB3' HG22 ' A' ' 95' ' ' VAL . 4.9 ptpt -139.02 124.98 19.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.659 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.3 p -78.46 133.35 30.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.2 mt -126.73 114.92 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -93.36 122.32 35.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 0.2 OUTLIER -126.44 161.54 27.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 1.5 t30 -123.79 151.8 42.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 m -49.28 -22.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -78.9 -42.4 27.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.19 -165.68 29.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.9 175.6 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -131.17 -165.22 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -86.17 149.49 50.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.45 27.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.486 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 6.2 t -103.9 159.2 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.74 120.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.489 HG22 ' HB3' ' A' ' 80' ' ' LYS . 67.8 t -68.09 120.65 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.8 m -102.46 169.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -132.59 144.9 50.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.334 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.577 ' CD1' HD22 ' A' ' 16' ' ' LEU . 15.2 m-85 -145.82 154.74 42.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 m -127.13 146.51 50.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.471 HG22 HD21 ' A' ' 24' ' ' LEU . 35.6 p -91.53 175.25 6.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.623 ' O ' HG23 ' A' ' 21' ' ' ILE . 1.1 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 111.048 -0.404 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -89.26 -174.21 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.7 ttt -66.89 120.89 75.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.04 -175.81 2.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.83 136.41 40.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.89 144.84 1.78 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.72 10.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 27' ' ' GLN . 3.4 m -82.22 176.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 98' ' ' PHE . 8.7 tp -126.08 81.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.567 HG23 ' HB2' ' A' ' 27' ' ' GLN . 17.9 p -53.76 -54.42 38.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.67 140.51 38.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -112.9 117.52 32.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.507 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.37 178.73 31.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.1 mt -79.64 -47.95 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -120.54 29.92 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.507 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.3 p-90 -163.23 156.45 19.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 19' ' ' ALA . 46.6 mt -143.92 114.24 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.8 103.67 16.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.482 HD12 HD21 ' A' ' 44' ' ' LEU . 18.6 mt -100.95 163.41 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.567 ' HB2' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -140.85 124.38 16.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.527 ' CG ' HG21 ' A' ' 81' ' ' VAL . 38.3 p90 -130.31 160.28 34.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 m -126.74 171.45 11.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 13.5 m-85 -130.51 129.0 42.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.458 HD11 ' CD2' ' A' ' 84' ' ' TYR . 16.7 mt -97.91 117.83 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.482 HD21 HD12 ' A' ' 26' ' ' LEU . 29.5 tp -82.5 108.99 16.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.474 ' HG3' HD12 ' A' ' 82' ' ' ILE . 5.1 mt-10 -96.45 165.02 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.423 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -162.24 136.76 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 2.9 mmtp . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -74.99 143.38 29.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.26 -46.07 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.607 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 40.6 t80 -116.37 159.44 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -159.29 87.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.95 -177.61 24.98 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -111.94 44.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.72 149.56 40.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.432 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 31.0 mt -94.22 30.93 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.22 141.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.607 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 79.5 t80 -147.79 158.84 44.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.1 m -117.49 96.43 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.62 146.89 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.79 176.53 8.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.457 ' O ' HD23 ' A' ' 71' ' ' LEU . 3.3 m-20 57.08 71.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 70' ' ' ASN . 41.7 mt -129.53 -171.99 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -123.12 148.86 45.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 147.29 49.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.76 77.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 76' ' ' LYS . 72.9 m -150.22 167.2 27.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 75' ' ' THR . 1.0 OUTLIER -124.1 129.77 51.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -132.88 144.55 50.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -96.82 132.36 42.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 46' ' ' MET . 54.1 m-85 -131.42 145.98 52.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.426 ' HD2' HD11 ' A' ' 82' ' ' ILE . 7.3 ptpt -141.69 135.56 29.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.7 p -88.29 127.57 41.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.474 HD12 ' HG3' ' A' ' 45' ' ' GLU . 7.5 mt -119.1 115.93 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -91.95 128.74 37.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -137.77 161.23 37.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 14.9 t30 -123.89 152.02 42.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -46.25 -25.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.72 -47.32 17.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.64 173.78 44.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.95 161.08 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.9 -166.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -76.15 154.18 84.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.465 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.99 163.91 34.4 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.97 168.39 10.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.07 130.55 10.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 80' ' ' LYS . 45.7 t -79.0 123.52 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.7 m -104.91 168.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 7.0 tt0 -132.27 154.11 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.558 ' CD1' HD22 ' A' ' 16' ' ' LEU . 30.0 m-85 -152.82 169.73 22.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.1 m -132.22 146.15 51.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.1 p -91.72 -178.31 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 108.259 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.3 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.3 ttt -58.33 116.42 14.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.07 163.89 34.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.12 136.88 37.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.91 146.59 5.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 127.56 10.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.529 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.4 m -84.68 -175.04 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.0 tp -138.51 89.53 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 30.9 p -62.07 -60.25 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.3 OUTLIER -125.98 129.25 48.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.259 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.698 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -105.57 114.44 28.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.516 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -94.22 172.42 31.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.2 mt -75.58 -49.07 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -115.87 28.55 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.516 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.1 p-90 -165.77 155.6 12.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 71' ' ' LEU . 27.0 mt -141.14 119.85 12.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.83 100.88 13.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.53 HD12 HD21 ' A' ' 44' ' ' LEU . 23.9 mt -93.27 160.8 14.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.529 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -146.6 115.59 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.643 ' CG ' HG21 ' A' ' 81' ' ' VAL . 42.0 p90 -122.55 166.84 14.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -128.58 179.54 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.598 ' OG ' ' CE2' ' A' ' 84' ' ' TYR . 59.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.489 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.9 m-85 -124.18 130.74 53.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.46 HD11 ' CD2' ' A' ' 84' ' ' TYR . 13.1 mt -96.59 116.38 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.53 HD21 HD12 ' A' ' 26' ' ' LEU . 24.5 tp -81.78 111.07 17.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -96.22 165.49 12.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.487 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.76 150.78 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.6 28.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 -46.43 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 52.7 t80 -118.6 163.86 16.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -166.47 83.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.3 175.6 23.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.25 39.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.98 160.36 19.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.459 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 9.2 mt -107.87 24.34 13.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.17 140.75 9.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.599 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 87.9 t80 -151.19 155.49 38.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 m -115.65 104.36 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 93.0 t -68.75 146.1 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.5 176.95 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 59.92 66.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.477 HD13 HD12 ' A' ' 24' ' ' LEU . 39.1 mt -125.78 -174.73 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -125.79 144.02 50.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 149.9 47.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.46 77.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 76' ' ' LYS . 87.9 m -150.19 171.57 16.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.379 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.485 ' N ' HG22 ' A' ' 75' ' ' THR . 0.1 OUTLIER -120.93 121.95 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -135.55 155.46 50.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 79' ' ' PHE . 5.2 mtmt -114.07 171.08 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.608 ' O ' HG22 ' A' ' 96' ' ' VAL . 96.5 m-85 -163.18 133.68 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.427 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -134.01 125.29 27.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.643 HG21 ' CG ' ' A' ' 28' ' ' TRP . 2.1 p -80.34 128.3 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 7.1 mt -119.46 112.83 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -93.28 125.08 37.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.598 ' CE2' ' OG ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -132.89 161.55 33.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 88' ' ' GLY . 3.4 t30 -123.83 151.91 42.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -43.33 -26.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 85' ' ' ASN . 44.4 mt-10 -73.93 -47.53 37.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' ASN . . . -168.36 -157.83 11.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.16 149.28 52.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.75 -172.39 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -73.18 153.83 90.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -74.98 162.29 37.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.7 t -91.76 172.95 8.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.35 128.18 30.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.427 HG22 ' HB3' ' A' ' 80' ' ' LYS . 77.8 t -70.7 118.32 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 79' ' ' PHE . 34.5 m -100.56 160.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.565 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 mp0 -117.0 155.26 29.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 16.2 m-85 -156.08 166.56 33.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 m -140.48 147.9 40.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.4 p -86.61 178.24 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 108.316 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -59.87 -175.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 ttt -68.27 115.79 32.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.479 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 165.86 30.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.79 138.23 35.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.93 147.48 0.89 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.23 37.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.51 ' CG2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -110.76 164.89 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.984 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.5 tp -116.98 91.54 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -59.42 -58.14 9.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.46 130.5 44.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.984 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -102.68 120.33 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -102.91 169.02 18.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.0 mt -73.0 -54.92 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.598 0.822 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -111.1 24.81 12.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.408 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 67.7 p-90 -159.44 154.11 24.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 107.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' CD1' HD13 ' A' ' 71' ' ' LEU . 49.2 mt -137.78 115.48 11.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.99 100.7 12.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.96 HD12 HD21 ' A' ' 44' ' ' LEU . 15.4 mt -88.67 173.86 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.443 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 1.3 tt0 -164.83 125.97 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.438 ' CZ3' HD13 ' A' ' 44' ' ' LEU . 46.3 p90 -133.95 164.01 28.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 m -127.77 171.03 12.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 5.6 m-85 -131.75 135.08 46.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.4 mt -97.19 118.43 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.96 HD21 HD12 ' A' ' 26' ' ' LEU . 26.9 tp -86.55 100.01 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.822 ' OE1' HD12 ' A' ' 82' ' ' ILE . 20.5 mp0 -92.65 160.33 15.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 9.9 ttp -160.45 134.16 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.56 19.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.23 -39.61 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.56 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 57.9 t80 -120.12 160.22 23.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -166.69 84.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.91 -177.11 22.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -107.93 44.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.479 ' CG ' ' HH ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -118.41 153.86 33.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 mt -101.75 30.29 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.22 143.78 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 92.2 t80 -156.31 152.7 27.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.4 m -114.24 110.23 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.1 t -76.86 142.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.223 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -128.75 176.3 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 62.89 68.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 24' ' ' LEU . 68.1 mt -127.39 -174.44 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -128.97 142.04 51.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.249 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 147.24 30.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.424 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.3 OUTLIER 39.5 78.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.027 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.7 m -147.88 147.06 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.69 138.3 39.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -145.32 146.33 31.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.402 ' CG ' ' HG2' ' A' ' 97' ' ' GLU . 23.6 mtpt -105.32 137.4 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 91.5 m-85 -132.5 145.1 50.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.684 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -137.63 130.84 30.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.425 HG21 ' CB ' ' A' ' 28' ' ' TRP . 1.0 OUTLIER -90.89 124.32 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.822 HD12 ' OE1' ' A' ' 45' ' ' GLU . 7.1 mt -118.54 120.68 64.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.479 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -96.3 121.11 37.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -129.8 162.5 28.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.408 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 53.2 m-20 -123.51 149.85 44.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.8 t -46.82 -24.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -80.62 -47.42 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.84 170.1 41.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 3.7 ptmm? -103.68 166.7 10.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.51 -163.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -82.5 152.73 67.54 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.475 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -75.01 162.47 37.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 t -100.15 175.41 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.21 128.85 35.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 80' ' ' LYS . 63.1 t -77.39 130.46 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -113.9 164.11 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -125.63 157.18 37.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 25.9 m-85 -154.04 158.46 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 m -121.71 152.84 38.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 74' ' ' SER . 8.9 p -86.09 175.8 8.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 108.304 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -169.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 ttp -77.12 122.1 85.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 170.73 19.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.93 136.88 33.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.484 ' HB2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -47.18 144.46 4.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.41 9.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 16' ' ' LEU . 1.1 m -82.55 -172.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.1 tp -134.48 88.25 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.0 p -61.23 -59.66 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.5 135.85 52.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.681 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -115.67 118.07 32.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.85 -166.55 30.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 73' ' ' ARG . 8.0 mt -93.6 -43.71 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -121.98 21.14 10.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.484 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 68.2 p-90 -153.55 155.41 36.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 71' ' ' LEU . 30.7 mt -140.64 119.49 12.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.6 100.61 12.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.77 154.35 18.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.402 ' HB3' HG22 ' A' ' 15' ' ' VAL . 32.4 tt0 -137.72 131.3 31.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.583 ' CG ' HG21 ' A' ' 81' ' ' VAL . 42.9 p90 -131.88 163.9 27.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -125.44 178.34 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.494 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 50.0 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.431 ' CE1' HD23 ' A' ' 64' ' ' LEU . 5.1 m-85 -130.48 131.82 45.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.2 mt -100.4 134.83 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.427 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 19.7 tp -104.57 108.11 19.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -97.61 164.35 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.66 135.39 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.66 15.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.774 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.69 -34.75 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.605 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 46.3 t80 -124.03 163.77 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -166.25 82.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.06 -175.98 22.72 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -111.79 42.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.65 154.91 24.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.431 HD23 ' CE1' ' A' ' 42' ' ' TYR . 16.0 mt -101.83 29.41 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.28 143.35 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.605 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 91.3 t80 -152.97 159.0 42.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -122.55 106.04 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.8 t -69.91 151.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -142.26 170.07 16.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 65.66 60.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.441 HD13 HD12 ' A' ' 24' ' ' LEU . 61.8 mt -120.2 -168.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.73 150.49 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.448 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -73.33 140.12 46.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.45 77.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.8 m -149.17 156.77 42.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -109.71 115.73 30.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -123.48 147.69 46.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.519 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -99.69 160.5 14.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.471 ' O ' HG22 ' A' ' 96' ' ' VAL . 97.8 m-85 -158.79 141.95 14.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -146.4 127.52 14.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.583 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.1 p -83.07 130.12 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 12.8 mt -120.78 114.35 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.18 117.25 28.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.494 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 0.3 OUTLIER -126.43 162.5 25.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 88' ' ' GLY . 1.8 m-20 -123.7 150.71 43.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t -42.19 -27.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 85' ' ' ASN . 1.5 mt-10 -73.67 -47.85 36.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.88 -155.72 9.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.51 157.11 45.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.55 -164.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -77.94 151.92 79.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.6 Cg_endo -74.96 165.4 31.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.769 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.7 t -92.41 175.81 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.57 116.12 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.519 HG11 ' CD ' ' A' ' 78' ' ' LYS . 88.1 t -57.08 131.55 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 13' ' ' SER . 35.6 m -112.38 168.27 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -134.03 136.14 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -139.67 171.44 14.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -138.71 148.76 44.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.1 p -80.51 179.66 7.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 108.325 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -66.75 -178.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.4 ttt -62.67 119.6 52.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.476 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 -170.53 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.1 138.07 39.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.25 144.29 4.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.414 ' O ' HG21 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 135.29 18.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 27' ' ' GLN . 2.3 m -90.07 -177.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.6 tp -136.37 86.63 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.557 HG23 ' HB2' ' A' ' 27' ' ' GLN . 46.8 p -55.85 -57.05 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.89 137.31 44.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.745 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -112.07 115.16 28.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -94.28 -173.33 38.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.419 HG23 ' CB ' ' A' ' 73' ' ' ARG . 38.3 mt -87.49 -43.54 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 p -121.41 24.01 10.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.501 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 60.4 p-90 -159.23 155.87 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 19' ' ' ALA . 71.6 mt -141.74 115.73 9.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.81 101.9 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.604 HD12 HD21 ' A' ' 44' ' ' LEU . 19.6 mt -94.69 162.61 13.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.662 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -150.48 111.28 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.465 ' CZ3' HD13 ' A' ' 44' ' ' LEU . 39.4 p90 -115.01 164.0 14.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 107.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -124.7 165.53 17.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.401 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 15.1 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 4.0 m-85 -142.08 127.77 19.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.9 mt -99.74 121.1 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.604 HD21 HD12 ' A' ' 26' ' ' LEU . 28.9 tp -88.75 114.7 25.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.658 ' CD ' HD12 ' A' ' 82' ' ' ILE . 31.0 mp0 -108.02 156.83 18.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 21.1 ttp -152.12 127.91 10.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 4.9 mmmt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.04 141.02 26.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.35 -43.59 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.6 t80 -115.36 154.11 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.35 84.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.04 171.89 30.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.55 36.3 1.39 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 0.734 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.22 157.2 17.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.5 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 13.5 mt -104.09 27.48 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -175.36 141.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 48.4 t80 -145.23 153.46 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 m -104.84 94.91 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 58.8 t -62.04 142.72 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -134.76 167.42 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 69.89 64.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.417 HD13 HD12 ' A' ' 24' ' ' LEU . 43.2 mt -125.45 -175.67 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -119.05 148.15 43.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' CB ' HG23 ' A' ' 21' ' ' ILE . 11.6 ptt-85 -70.09 147.21 50.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.0 p 39.63 67.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -143.83 165.02 28.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.421 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' N ' ' CG2' ' A' ' 75' ' ' THR . 0.2 OUTLIER -116.98 145.47 43.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -147.19 146.76 29.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -98.94 142.17 30.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 92.3 m-85 -140.45 149.37 42.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.692 ' HB3' HG22 ' A' ' 95' ' ' VAL . 5.4 ptpt -146.48 130.4 17.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.435 HG13 ' HG2' ' A' ' 11' ' ' PRO . 1.1 p -89.85 130.29 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.658 HD12 ' CD ' ' A' ' 45' ' ' GLU . 8.5 mt -120.64 118.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.476 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -92.09 116.19 28.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -123.39 162.28 23.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.9 OUTLIER -123.71 150.61 44.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.4 t -42.7 -26.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 85' ' ' ASN . 2.6 mt-10 -74.09 -47.64 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.78 -155.8 9.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -130.45 153.48 48.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -162.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -81.26 152.79 71.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.462 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.99 159.31 41.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.68 -179.71 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.068 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.73 129.21 40.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.692 HG22 ' HB3' ' A' ' 80' ' ' LYS . 45.7 t -78.37 122.05 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 14' ' ' PRO . 35.5 m -101.16 162.78 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 144.49 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 19.5 m-85 -145.2 170.72 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -134.35 146.73 50.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.358 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 p -78.33 -179.76 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.76 172.17 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.4 ttt -58.18 115.57 11.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.503 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.06 164.0 34.12 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.89 135.92 35.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.34 147.18 1.03 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.35 31.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.523 ' CG2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -108.98 165.14 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.014 HD21 ' HB2' ' A' ' 19' ' ' ALA . 5.9 tp -114.06 114.53 26.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.0 p -80.92 -48.38 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.69 129.11 22.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.014 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -101.67 117.84 35.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -97.73 177.33 31.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.6 mt -80.26 -43.77 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.8 p -123.46 27.6 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.436 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 64.7 p-90 -161.14 153.1 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.542 HD21 HG22 ' A' ' 100' ' ' THR . 41.3 mt -138.42 112.36 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.13 101.85 13.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.732 HD12 HD11 ' A' ' 44' ' ' LEU . 7.6 mt -88.88 175.02 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' VAL . 1.4 tt0 -158.47 123.88 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.1 p90 -133.75 161.2 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 108.035 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -132.2 166.14 22.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.458 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -145.6 125.15 13.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.524 HD11 ' CD2' ' A' ' 84' ' ' TYR . 13.7 mt -100.73 124.99 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.732 HD11 HD12 ' A' ' 26' ' ' LEU . 20.4 tp -92.47 117.49 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' HG3' HD12 ' A' ' 82' ' ' ILE . 10.2 mt-10 -104.46 164.37 11.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -161.14 135.36 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 126.07 9.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -34.76 7.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 72.6 t80 -124.22 152.51 42.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.58 83.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.76 -171.5 18.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -110.42 49.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.09 154.99 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -105.61 28.57 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.9 143.2 3.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 87.8 t80 -151.09 158.99 44.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 m -120.95 100.01 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.351 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.77 145.65 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -138.11 163.48 31.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 72.42 62.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.5 HD13 HD12 ' A' ' 24' ' ' LEU . 51.2 mt -120.06 -171.3 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -126.61 150.81 48.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 148.89 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 81.1 p 39.58 71.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.3 m -147.94 160.4 42.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.16 152.29 29.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -154.68 141.12 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -95.71 144.35 26.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -139.56 146.06 39.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.445 ' HD2' ' CB ' ' A' ' 92' ' ' PRO . 0.3 OUTLIER -146.99 124.76 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 p -80.17 133.55 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.47 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 13.0 mt -123.38 113.01 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.503 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.67 122.79 33.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -131.67 159.94 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 5.0 t-20 -123.94 153.45 41.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -46.92 -24.78 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -76.44 -47.4 23.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.33 -174.67 37.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 153.2 32.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.53 -171.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.936 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -75.51 154.9 85.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.97 160.04 40.73 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -92.62 167.3 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -45.8 128.3 8.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.235 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 80' ' ' LYS . 88.7 t -71.98 130.83 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -116.54 165.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -130.15 157.21 43.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -154.24 158.95 41.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -120.88 148.9 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.542 HG22 HD21 ' A' ' 24' ' ' LEU . 24.5 p -92.89 -175.99 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.253 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.65 170.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.7 ttt -57.27 116.92 15.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.51 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.04 169.85 21.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.86 136.48 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.57 145.93 7.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 126.45 9.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.519 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.4 m -80.74 -170.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.6 tp -138.62 89.85 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.8 p -60.63 -60.18 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.55 129.17 40.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.629 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -104.49 116.41 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.18 -175.65 37.67 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 mt -86.31 -43.86 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 p -121.87 23.32 10.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.427 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.51 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 66.4 p-90 -156.13 153.92 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 108.026 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 HD13 ' A' ' 71' ' ' LEU . 58.0 mt -139.1 122.08 16.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.03 101.99 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.843 HD12 HD21 ' A' ' 44' ' ' LEU . 65.2 mt -97.61 160.97 13.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -144.23 114.13 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.739 ' CG ' HG21 ' A' ' 81' ' ' VAL . 41.9 p90 -118.54 159.72 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 107.96 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.2 175.61 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -140.67 120.94 13.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.547 HG23 ' O ' ' A' ' 59' ' ' TYR . 88.3 mt -97.38 111.41 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.843 HD21 HD12 ' A' ' 26' ' ' LEU . 18.8 tp -68.89 109.96 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' OE1' ' CD1' ' A' ' 82' ' ' ILE . 4.0 mt-10 -94.54 164.06 13.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.86 133.28 4.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 11.1 mmmt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -74.99 153.43 41.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.67 -59.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.56 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 46.7 t80 -105.69 151.95 23.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.6 85.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.2 172.13 28.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.1 47.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -119.52 145.85 45.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.422 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 29.6 mt -93.36 35.82 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -178.0 134.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 47.6 t80 -145.58 155.83 43.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 m -113.35 94.48 4.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 17.4 t -60.38 132.8 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.93 167.19 12.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.943 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.6 m-20 65.07 84.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.943 HD23 ' O ' ' A' ' 70' ' ' ASN . 21.6 mt -142.82 -176.74 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -116.68 151.74 35.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -77.35 151.86 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.78 70.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.8 m -150.21 165.07 34.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.11 149.38 42.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -148.87 153.82 38.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -109.0 128.29 54.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -125.7 161.0 28.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.555 ' HD2' HD11 ' A' ' 82' ' ' ILE . 3.2 ptpt -156.99 135.54 11.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.739 HG21 ' CG ' ' A' ' 28' ' ' TRP . 2.2 p -92.63 113.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.555 HD11 ' HD2' ' A' ' 80' ' ' LYS . 5.4 mt -104.74 123.06 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -100.58 114.76 28.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.484 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -123.25 161.96 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.416 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 48.5 t30 -123.43 149.6 44.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.36 -24.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 110.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -47.33 22.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -165.44 -166.68 24.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.12 179.14 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.29 -168.0 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -76.95 145.53 74.14 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -75.0 158.12 42.4 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.6 p -81.29 168.59 18.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.441 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -56.6 117.04 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.5 t -57.38 116.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 94' ' ' GLU . 35.5 m -100.58 164.0 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -129.92 139.09 51.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 16.2 m-85 -145.24 161.45 39.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -128.0 152.12 48.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.3 p -88.54 -176.19 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.313 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.47 170.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.97 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.422 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 11.9 ttt -65.7 125.11 89.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.95 -171.3 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.8 137.48 42.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.61 146.1 0.77 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.983 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.4 9.93 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 27' ' ' GLN . 1.6 m -82.29 -176.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.7 tp -139.61 99.74 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.0 p -65.55 -54.77 23.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.01 142.94 47.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.701 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -112.04 114.29 27.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.86 166.75 25.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.7 mt -68.54 -46.21 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -121.31 15.38 11.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 62.6 p-90 -145.33 153.54 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD12 HD13 ' A' ' 71' ' ' LEU . 77.0 mt -141.59 116.5 9.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.51 106.28 18.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.468 HD12 HD21 ' A' ' 44' ' ' LEU . 19.2 mt -99.83 169.24 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.616 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -154.54 117.18 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.524 ' CG ' HG21 ' A' ' 81' ' ' VAL . 37.4 p90 -126.57 160.1 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.65 176.17 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 5.2 m-85 -143.63 127.1 16.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 59' ' ' TYR . 12.6 mt -98.43 117.35 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.468 HD21 HD12 ' A' ' 26' ' ' LEU . 22.7 tp -81.4 112.86 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -97.4 163.6 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.237 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.54 128.7 5.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 6.3 mmtp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.03 147.67 34.14 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -125.36 -50.98 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.536 ' O ' HG23 ' A' ' 43' ' ' ILE . 42.5 t80 -115.64 158.32 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -158.54 83.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.19 171.05 30.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 36.29 1.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.5 152.79 23.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.73 30.4 4.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.47 137.95 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 71.0 t80 -148.44 159.06 44.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.7 m -118.57 93.63 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.681 HG12 HD21 ' A' ' 71' ' ' LEU . 69.4 t -61.56 108.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -99.51 -176.25 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.764 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.2 m120 53.91 78.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 70' ' ' ASN . 22.1 mt -138.0 -177.35 4.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -119.82 161.27 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 150.09 24.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.95 70.6 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.157 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 76' ' ' LYS . 85.4 m -150.29 171.69 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.472 ' N ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -120.65 146.88 45.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -150.2 142.3 24.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.509 ' CD ' HG11 ' A' ' 95' ' ' VAL . 5.5 ttmt -95.23 150.64 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -151.6 138.65 19.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HD2' HD11 ' A' ' 82' ' ' ILE . 2.0 pttt -140.09 133.0 29.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.524 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -90.57 114.18 27.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 8.4 mt -106.48 117.79 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -93.36 117.21 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.17 163.07 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.41 152.18 41.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.3 m -50.12 -22.07 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.43 -45.41 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.7 -166.31 25.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.94 178.08 4.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.19 -167.06 1.93 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -80.32 145.58 60.18 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.0 156.97 43.02 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.422 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 17.8 m -88.23 175.91 7.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.85 127.85 32.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.509 HG11 ' CD ' ' A' ' 78' ' ' LYS . 71.6 t -71.82 116.38 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.3 m -103.71 177.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -143.48 154.62 43.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.589 ' CD1' HD22 ' A' ' 16' ' ' LEU . 23.6 m-85 -149.3 156.07 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 m -123.97 163.94 20.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 20' ' ' GLY . 43.0 p -111.36 175.1 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 108.28 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.66 168.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 8.1 ttt -56.4 127.08 71.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.529 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.94 -179.03 4.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.19 138.58 32.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.66 144.99 2.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 127.98 11.11 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 27' ' ' GLN . 1.9 m -85.41 -176.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.721 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.7 tp -141.27 103.86 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.491 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 41.1 p -73.24 -51.79 16.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 134.17 35.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.721 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -111.43 117.44 33.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.515 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -93.97 -176.14 39.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.103 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.5 mt -83.5 -41.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 p -124.88 21.26 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.515 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 65.6 p-90 -153.97 154.24 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD12 HD13 ' A' ' 71' ' ' LEU . 37.7 mt -143.27 123.85 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.48 101.48 12.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 11.2 mt -96.57 158.29 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.674 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.6 tt0 -138.68 121.38 16.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -132.22 158.98 40.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.025 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.43 159.66 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.495 ' OH ' ' CB ' ' A' ' 30' ' ' LYS . 21.3 m-85 -149.88 135.52 18.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.461 HD11 ' CD2' ' A' ' 84' ' ' TYR . 15.2 mt -102.43 116.35 45.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.2 tp -87.5 108.67 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.26 160.15 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.552 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 19.6 ttp -153.86 124.34 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 6.6 mmmt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -74.99 148.39 35.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 -48.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.527 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 69.4 t80 -114.61 157.4 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -164.23 78.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.99 178.15 26.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -99.28 51.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -121.09 154.49 36.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 mt -105.27 25.66 10.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.085 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.68 140.41 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.527 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 88.3 t80 -147.82 157.99 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.8 m -113.33 94.53 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.784 HG12 HD21 ' A' ' 71' ' ' LEU . 75.6 t -64.66 97.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -86.57 175.39 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.941 ' O ' HD23 ' A' ' 71' ' ' LEU . 20.7 t30 60.7 83.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.941 HD23 ' O ' ' A' ' 70' ' ' ASN . 20.4 mt -142.75 -178.17 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -117.86 140.83 49.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 136.64 58.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.86 76.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.5 m -148.54 138.98 22.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.12 150.16 33.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.545 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 2.7 m-85 -155.5 133.69 11.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -95.77 136.73 35.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.552 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 67.5 m-85 -139.51 143.93 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.485 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -141.56 132.16 25.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.529 HG13 ' HG2' ' A' ' 11' ' ' PRO . 1.1 p -89.41 132.3 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.438 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 9.2 mt -124.22 116.79 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -91.06 123.4 34.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -131.64 162.12 31.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.8 OUTLIER -123.71 150.82 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.74 -26.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 85' ' ' ASN . 62.1 mt-10 -73.85 -47.63 36.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.95 -156.42 10.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 156.67 45.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.59 -164.1 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -80.24 154.03 74.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.97 164.76 32.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.769 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.452 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 8.6 t -97.71 179.33 4.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.3 124.15 17.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 80' ' ' LYS . 90.2 t -72.55 118.23 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 32.5 m -102.17 179.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -146.89 141.39 26.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 11.0 m-85 -141.4 154.03 45.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -117.71 148.23 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.4 p -83.52 176.36 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.324 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.64 179.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.9 ttt -63.54 116.71 28.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.03 168.56 24.54 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.43 142.53 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.509 ' HB2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -51.0 145.53 11.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.024 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.75 12.64 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.553 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.3 m -84.57 -174.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.408 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 2.9 tp -139.13 92.0 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 27' ' ' GLN . 32.4 p -66.28 -59.06 4.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.82 137.63 52.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.8 119.52 39.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -96.98 169.12 25.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' CG1' ' HB2' ' A' ' 101' ' ' CYS . 74.1 mt -73.49 -45.52 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 p -121.79 24.17 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.9 p-90 -157.47 158.81 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.621 HD21 HG22 ' A' ' 100' ' ' THR . 52.5 mt -140.92 128.5 21.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -104.92 100.14 9.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.707 HD12 HD21 ' A' ' 44' ' ' LEU . 29.9 mt -94.68 168.17 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -148.57 116.99 6.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.527 ' CG ' HG21 ' A' ' 81' ' ' VAL . 41.9 p90 -123.45 166.29 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.08 164.71 24.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 1.4 pttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.495 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 3.9 m-85 -136.39 134.05 37.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mt -96.35 120.2 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.707 HD21 HD12 ' A' ' 26' ' ' LEU . 38.5 tp -90.11 108.25 19.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -96.68 162.46 13.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 18.4 ttp -155.51 132.82 10.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.247 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.64 19.34 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.48 -42.1 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 53.5 t80 -113.04 164.07 13.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -174.63 84.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.2 -178.12 23.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.08 39.04 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.55 151.58 37.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 42.2 mt -93.11 27.19 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.64 156.36 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 25.0 t80 -157.04 158.83 37.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.4 m -115.8 94.75 4.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.63 146.5 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.35 169.26 17.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.574 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.5 m-20 62.93 72.71 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 70' ' ' ASN . 28.8 mt -133.7 -168.24 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -130.92 148.11 52.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 149.63 47.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.69 71.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.1 m -150.3 144.86 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.18 150.29 20.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -153.95 146.25 23.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.431 ' HB3' ' CG1' ' A' ' 95' ' ' VAL . 33.0 mtpt -100.69 131.85 46.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 26.9 m-85 -123.64 155.04 38.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' HB3' HG22 ' A' ' 95' ' ' VAL . 2.0 pttp -152.69 129.39 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.9 p -87.05 123.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.426 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 12.3 mt -114.77 112.67 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.434 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.39 130.26 36.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.509 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -139.79 160.51 39.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 1.0 OUTLIER -123.78 152.03 42.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -44.96 -26.09 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 85' ' ' ASN . 1.3 mt-10 -77.15 -47.0 21.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.17 175.09 46.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -105.53 163.53 12.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.753 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.44 -165.08 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -77.64 152.65 80.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.95 163.08 36.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 t -93.61 -176.56 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.38 129.97 43.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 78' ' ' LYS . 83.2 t -73.83 118.48 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 13' ' ' SER . 24.7 m -101.02 169.2 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.555 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.8 tt0 -131.68 152.43 50.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.555 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 19.7 m-85 -151.69 176.77 11.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 m -138.74 149.5 45.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.621 HG22 HD21 ' A' ' 24' ' ' LEU . 43.3 p -96.99 162.97 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.421 ' HB2' ' CG1' ' A' ' 21' ' ' ILE . 1.4 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.288 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.815 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.19 174.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 ttt -69.09 122.45 85.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.486 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.6 Cg_endo -74.93 173.17 14.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.99 138.3 31.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.25 145.51 1.83 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 125.73 9.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.798 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 27' ' ' GLN . 2.5 m -81.83 -178.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.68 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.1 tp -134.07 88.49 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -58.96 -59.15 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.429 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.1 133.51 44.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.68 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -105.8 118.1 35.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.67 176.32 33.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.2 mt -78.05 -43.0 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 0.744 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.5 p -125.12 22.0 7.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.4 p-90 -153.91 155.9 36.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD21 HG22 ' A' ' 100' ' ' THR . 58.3 mt -142.63 117.95 10.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.99 100.69 13.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.531 HD12 HD21 ' A' ' 44' ' ' LEU . 56.9 mt -94.59 161.82 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.487 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -143.74 112.57 6.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.539 ' CG ' HG21 ' A' ' 81' ' ' VAL . 40.6 p90 -114.58 160.59 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 107.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 m -119.94 171.75 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.49 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 7.7 m-85 -133.59 129.56 37.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.7 mt -97.77 122.66 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.531 HD21 HD12 ' A' ' 26' ' ' LEU . 23.3 tp -90.02 108.06 19.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -94.2 160.47 14.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.5 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 29.0 ttp -161.78 121.42 2.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 15.6 mmtt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.1 Cg_endo -75.02 148.93 35.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -46.27 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.583 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 45.5 t80 -115.02 155.94 26.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.53 80.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.47 171.83 25.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.48 44.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.93 151.61 37.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.49 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 18.8 mt -98.06 31.28 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.51 145.13 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 70.4 t80 -154.43 159.08 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -118.21 104.29 10.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.32 149.33 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -143.62 165.53 27.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 69.68 60.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 mt -121.44 -176.24 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -122.44 149.16 44.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 137.11 54.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.01 79.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -149.75 132.71 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 127.14 32.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.5 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 7.5 m-85 -136.21 149.9 48.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -111.78 151.17 29.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 46' ' ' MET . 97.0 m-85 -150.31 137.99 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HB3' HG22 ' A' ' 95' ' ' VAL . 1.2 ptpt -140.24 127.91 21.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.1 p -82.58 132.72 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.46 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 4.6 mt -124.17 114.61 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -92.68 115.23 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -122.95 161.09 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER -123.7 151.63 42.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -25.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -78.06 -47.12 19.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.56 174.54 45.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -104.12 157.5 17.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.81 -168.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.952 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -74.07 150.37 87.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.46 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.0 159.17 41.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 t -90.49 159.88 16.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -40.92 135.93 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.426 HG11 ' CD ' ' A' ' 78' ' ' LYS . 65.2 t -79.42 124.4 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.3 m -107.99 169.31 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.41 145.87 50.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -145.08 174.13 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 100' ' ' THR . 4.3 m -139.22 166.53 24.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.443 HG22 HD21 ' A' ' 24' ' ' LEU . 58.2 p -115.64 167.14 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.279 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -179.58 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.054 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.3 ttt -66.48 122.37 81.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.56 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.01 172.17 16.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.17 136.52 33.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.02 143.64 4.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.607 ' O ' HG21 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.97 130.09 12.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.497 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.8 m -89.5 -174.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.826 HD21 ' HB2' ' A' ' 19' ' ' ALA . 5.2 tp -133.89 88.46 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.455 HG23 ' HB2' ' A' ' 27' ' ' GLN . 43.8 p -55.98 -60.44 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.01 129.51 34.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.826 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -104.64 117.6 34.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.519 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.95 -169.99 35.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.142 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 101' ' ' CYS . 11.5 mt -89.47 -43.21 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.8 p -123.08 30.44 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.519 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.6 p-90 -164.77 154.96 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.962 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD12 HD13 ' A' ' 71' ' ' LEU . 48.6 mt -141.39 115.33 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.68 99.96 12.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.995 HD12 HD21 ' A' ' 44' ' ' LEU . 23.1 mt -93.78 161.57 14.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.497 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -144.92 117.89 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.691 ' CG ' HG21 ' A' ' 81' ' ' VAL . 41.1 p90 -124.46 159.57 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -125.37 166.19 17.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 3.3 m-85 -134.88 133.68 39.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.8 mt -99.62 121.34 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.995 HD21 HD12 ' A' ' 26' ' ' LEU . 28.1 tp -88.37 102.42 14.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.68 ' OE1' HD12 ' A' ' 82' ' ' ILE . 37.4 mp0 -95.46 160.19 14.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.558 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.93 133.63 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.1 Cg_endo -75.04 156.56 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.569 1.826 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.46 -52.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.2 t80 -110.18 148.22 32.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -150.42 79.69 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.44 170.7 26.05 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -97.6 41.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -114.25 150.77 33.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.465 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 23.4 mt -97.37 26.66 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -167.22 143.16 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 74.1 t80 -151.59 157.98 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -115.97 99.25 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 49.1 t -62.35 143.44 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.26 170.95 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.503 ' O ' HD23 ' A' ' 71' ' ' LEU . 3.9 m-80 60.11 72.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.508 HD13 HD12 ' A' ' 24' ' ' LEU . 39.9 mt -131.23 -169.01 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.29 144.37 50.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.65 149.45 50.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.68 78.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.5 m -148.03 166.1 28.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.42 116.35 24.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -125.41 147.2 49.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.594 ' HD2' HG11 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -94.88 166.68 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 46' ' ' MET . 79.9 m-85 -162.93 149.91 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.424 ' HB3' HG22 ' A' ' 95' ' ' VAL . 6.8 pttt -153.92 131.98 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.691 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -90.42 131.41 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.68 HD12 ' OE1' ' A' ' 45' ' ' GLU . 5.8 mt -123.35 120.51 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.497 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -92.68 114.67 27.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.508 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -123.08 160.68 25.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 88' ' ' GLY . 59.0 m-20 -123.85 152.68 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.5 -27.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 85' ' ' ASN . 47.8 mt-10 -72.57 -47.18 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -171.81 -155.71 11.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -128.35 155.15 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.08 -164.33 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -76.0 149.95 83.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.471 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -74.96 162.98 36.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -95.67 175.96 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.05 133.29 43.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.594 HG11 ' HD2' ' A' ' 78' ' ' LYS . 99.0 t -80.13 125.25 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 14' ' ' PRO . 35.5 m -109.25 164.02 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -130.38 146.12 51.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 19.1 m-85 -148.38 168.72 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 100' ' ' THR . 4.2 m -131.82 166.61 21.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.49 HG22 HD21 ' A' ' 24' ' ' LEU . 12.6 p -111.56 175.95 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.67 159.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -47.68 141.75 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.59 -162.29 28.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -80.81 119.58 23.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.984 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.09 149.64 37.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.24 -156.25 15.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.6 19.3 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -176.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.27 116.51 47.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 168.96 23.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.48 136.95 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.48 146.63 3.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.53 16.72 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.483 1.781 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.52 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.5 m -89.12 -175.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.7 tp -133.71 86.4 2.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.457 HG23 ' HB2' ' A' ' 27' ' ' GLN . 44.6 p -55.13 -60.91 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.371 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.25 132.72 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.735 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -107.84 114.99 29.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.11 -165.34 35.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.445 HG21 ' HB2' ' A' ' 103' ' ' ASP . 23.5 mt -93.46 -48.37 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.792 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 p -119.33 31.92 6.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.525 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 63.3 p-90 -165.61 154.49 11.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.046 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.0 mt -142.04 120.57 12.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.75 100.36 12.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.087 HD12 HD21 ' A' ' 44' ' ' LEU . 26.7 mt -94.26 160.0 14.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -143.12 124.48 14.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CG ' HG21 ' A' ' 81' ' ' VAL . 40.9 p90 -130.51 161.23 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -124.22 170.02 11.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 4.8 ptmt -78.95 160.88 70.52 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 168.2 25.36 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 m -76.3 145.05 39.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 41.44 80.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 p -62.61 159.32 43.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 110.391 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -61.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.7 p -172.82 176.07 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.91 109.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.21 156.26 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.78 109.77 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 41' ' ' SER . 32.3 mt -101.97 162.63 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.449 ' N ' ' CG2' ' A' ' 40' ' ' ILE . 8.5 p -115.82 151.09 35.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.554 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 4.2 m-85 -140.06 134.45 31.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 59' ' ' TYR . 7.3 mt -100.72 119.69 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.087 HD21 HD12 ' A' ' 26' ' ' LEU . 24.1 tp -83.34 117.35 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -102.33 165.14 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.489 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.71 134.64 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -128.21 117.95 22.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.72 68.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.681 ' HG3' HG23 ' A' ' 50' ' ' THR . 5.1 pt-20 -175.94 -54.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.681 HG23 ' HG3' ' A' ' 49' ' ' GLU . 54.4 p -74.62 157.23 35.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.97 87.63 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.41 57.83 4.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -102.38 -53.59 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.43 161.89 11.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.506 ' CG ' ' HB2' ' A' ' 47' ' ' GLU . 10.4 m-85 -76.86 151.51 35.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -121.49 148.71 50.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.502 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.0 144.67 30.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.802 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' CD ' ' HB3' ' A' ' 46' ' ' MET . 0.1 OUTLIER -122.21 -53.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.603 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 46.9 t80 -113.84 145.22 41.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -149.09 83.83 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.98 -166.09 10.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -119.0 42.83 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.37 148.44 43.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.554 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 41.7 mt -93.11 31.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.93 149.81 3.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.603 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 73.3 t80 -156.35 154.4 30.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m -114.38 95.6 5.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 t -56.57 150.88 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -140.1 171.29 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.475 ' O ' HD23 ' A' ' 71' ' ' LEU . 22.8 t30 60.54 75.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 70' ' ' ASN . 33.3 mt -130.65 -173.22 3.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -124.2 140.57 52.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' NH1' ' OD2' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -60.92 147.57 42.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER 38.96 68.09 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.6 m -144.6 153.09 41.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 144.97 33.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -147.08 154.66 41.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -100.98 157.2 16.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 46' ' ' MET . 69.6 m-85 -159.58 139.36 11.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.506 ' HE3' ' CD2' ' A' ' 55' ' ' PHE . 13.2 ptpt -142.44 130.25 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.617 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -78.16 131.46 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 8.0 mt -123.11 113.35 37.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.35 129.99 36.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.472 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -141.94 163.42 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -123.6 160.18 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -20.78 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.71 -47.19 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.42 -158.16 11.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.47 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -133.08 164.33 27.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.45 -165.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -76.99 152.74 82.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.03 164.97 32.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.407 ' CB ' HG12 ' A' ' 81' ' ' VAL . 8.7 t -95.36 176.68 6.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.88 143.73 7.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.452 HG11 ' CD ' ' A' ' 78' ' ' LYS . 94.7 t -88.24 112.47 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.59 163.02 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -129.75 148.78 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.605 ' CD1' HD22 ' A' ' 16' ' ' LEU . 33.6 m-85 -147.8 162.45 39.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 100' ' ' THR . 2.8 m -123.94 165.47 17.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.4 ' N ' HG22 ' A' ' 99' ' ' THR . 1.9 p -113.84 167.22 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.34 168.13 29.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.15 13.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 104' ' ' SER . 64.9 t0 -151.53 -67.75 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 1.5 p 86.45 -45.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.66 -162.3 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 108' ' ' SER . 18.4 Cg_endo -75.01 -41.56 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.535 1.808 . . . . 0.0 111.058 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.1 m 68.05 -71.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.959 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' PRO . 43.8 p -72.52 147.09 46.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -66.91 124.24 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.87 146.88 31.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.37 106.98 0.57 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.45 91.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 p -109.85 119.54 39.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.03 -135.94 8.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 169.67 22.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -68.14 -173.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.7 ttt -80.27 119.93 77.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.497 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.0 167.64 26.6 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.15 136.94 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.79 147.66 1.56 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.42 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.425 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.0 m -84.5 -178.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tp -134.6 87.78 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 p -59.96 -54.15 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -132.85 151.74 51.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.65 135.68 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.512 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -117.94 162.89 12.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 mt -69.33 -36.56 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -130.6 23.22 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.512 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 69.3 p-90 -155.39 159.75 40.13 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.0 mt -147.09 119.23 8.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.63 99.98 11.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.404 HD22 ' CE2' ' A' ' 98' ' ' PHE . 46.2 mt -96.0 173.48 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -155.21 117.71 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.702 ' CG ' HG21 ' A' ' 81' ' ' VAL . 37.8 p90 -120.5 165.11 15.42 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.71 169.01 13.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.81 162.3 59.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.47 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.86 119.12 38.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.66 79.16 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 p -75.55 156.96 84.84 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 110.375 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.549 ' HD2' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo -75.07 -39.61 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.8 p -123.04 165.33 16.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.12 -57.69 10.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.65 172.09 16.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.77 19.95 6.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.569 1.168 . . . . 0.0 111.051 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.549 HD11 ' HD2' ' A' ' 35' ' ' PRO . 90.7 mt -97.45 139.84 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -123.53 147.75 46.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 5.2 m-85 -119.43 123.68 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 59' ' ' TYR . 88.6 mt -96.97 115.67 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.444 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 21.6 tp -76.09 137.96 40.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG3' HD12 ' A' ' 82' ' ' ILE . 4.0 mt-10 -117.51 163.55 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.2 ttp -156.75 134.53 10.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -118.11 120.51 37.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.481 ' HG3' ' CD1' ' A' ' 77' ' ' TYR . 3.2 tm-20 178.97 -58.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' THR . 0.3 OUTLIER -41.97 151.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' GLU . 70.7 p 37.51 71.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' THR . 94.2 p 39.07 63.34 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.87 -96.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.7 OUTLIER 45.02 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 0.726 . . . . 0.0 111.046 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.73 154.69 1.41 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.421 1.075 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CD2' ' HE3' ' A' ' 80' ' ' LYS . 6.4 m-85 -94.41 139.28 31.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 9.9 mmtt -112.89 146.28 34.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.07 175.78 10.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.26 -46.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.513 ' O ' HG23 ' A' ' 43' ' ' ILE . 55.6 t80 -114.51 160.71 18.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -168.25 80.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.28 175.63 29.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -94.66 40.19 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -111.63 149.61 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -101.88 32.08 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.99 144.73 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -153.13 148.29 26.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.6 m -109.29 97.29 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 23.9 t -61.04 150.59 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -143.84 -173.78 4.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 51.47 59.97 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.7 mt -121.95 -165.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.0 156.59 43.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.16 138.63 42.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.12 77.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -150.22 139.35 21.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -77.23 145.1 37.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.481 ' CD1' ' HG3' ' A' ' 48' ' ' GLU . 11.0 m-85 -153.74 146.67 24.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.55 ' O ' ' CG ' ' A' ' 79' ' ' PHE . 3.5 mttt -105.51 162.59 13.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 78' ' ' LYS . 94.0 m-85 -163.02 136.31 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.564 ' HE3' ' CD2' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -141.11 126.17 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.702 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -79.6 129.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.449 HD12 ' HG3' ' A' ' 45' ' ' GLU . 10.3 mt -122.19 116.47 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.497 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -95.45 114.62 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -117.3 162.29 18.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.419 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -123.37 149.34 45.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -45.36 -25.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.054 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.68 -47.21 27.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.91 -162.84 21.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -106.68 -177.6 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.49 -168.07 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -79.71 143.31 58.37 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.408 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.99 164.12 34.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t -96.05 167.62 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.35 120.55 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.543 HG12 ' HG2' ' A' ' 78' ' ' LYS . 61.2 t -68.57 119.83 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.0 m -101.8 169.42 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -133.07 146.1 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 22.1 m-85 -147.81 169.97 18.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.2 m -138.7 147.32 42.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.9 p -78.7 -175.57 4.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.52 167.58 10.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 108.25 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 137.84 22.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -66.18 119.46 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.7 t -171.93 137.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -81.11 166.68 48.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 107.08 2.4 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.0 t 65.36 101.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m 50.82 91.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -169.28 94.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -90.91 126.63 36.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.78 127.07 2.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -127.4 142.79 51.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -93.75 157.08 16.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.963 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.15 154.6 6.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.19 41.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -81.19 -173.08 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.9 ttt -66.65 116.27 32.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.515 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 166.25 29.6 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.71 137.09 34.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.68 145.53 2.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 126.04 9.71 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.53 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.2 m -80.94 -174.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.504 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.0 tp -138.31 92.5 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 p -57.99 -51.72 68.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 110.414 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 154.75 48.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -121.6 119.46 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.515 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -98.85 174.27 27.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 101' ' ' CYS . 8.2 mt -80.72 -33.49 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.1 p -132.12 23.84 4.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.515 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 63.6 p-90 -158.44 155.11 27.99 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.2 mt -140.2 116.13 10.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.71 104.14 16.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.9 mt -98.98 164.68 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.53 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -150.16 117.59 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.57 ' CG ' HG21 ' A' ' 81' ' ' VAL . 38.7 p90 -122.34 163.79 19.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 107.979 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -127.84 175.05 8.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.986 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -75.63 161.31 76.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.81 0.84 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 m -104.51 132.48 50.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.26 69.6 1.27 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -73.36 155.3 89.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.552 0.795 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.9 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.811 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.06 167.14 11.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -61.43 -62.44 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -146.35 178.83 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.92 20.11 10.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.8 mt -92.43 142.24 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.251 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.472 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 27.3 m -123.49 148.76 45.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.608 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 9.7 m-85 -121.86 126.76 49.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.6 mt -97.01 112.68 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.417 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 30.4 tp -76.67 111.52 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.501 ' HG3' HD12 ' A' ' 82' ' ' ILE . 1.9 mt-10 -97.33 163.88 12.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.461 ' HB3' ' CD ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -162.68 144.75 10.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -127.48 128.58 45.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 171.13 175.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.69 160.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p 45.89 -166.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.4 p -67.48 96.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.86 92.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -148.25 89.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.97 148.6 24.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.466 ' CG ' ' HE3' ' A' ' 80' ' ' LYS . 11.9 m-85 -89.73 157.34 18.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -127.89 151.04 75.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 150.51 38.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' CD ' ' HB3' ' A' ' 46' ' ' MET . 0.1 OUTLIER -129.03 -50.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.537 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 44.9 t80 -117.69 156.59 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.16 82.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.65 169.69 29.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.23 41.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.09 148.91 32.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.608 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 21.9 mt -99.45 33.03 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.77 140.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.537 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 90.2 t80 -151.69 156.55 40.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.6 m -119.67 103.88 9.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.419 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.7 t -68.57 145.85 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -134.59 174.82 10.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 63.86 66.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.1 mt -124.49 -175.86 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -119.76 147.56 44.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 146.15 55.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.99 74.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 99.0 m -150.22 163.4 38.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.75 154.43 31.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.404 ' CE1' ' HE1' ' A' ' 46' ' ' MET . 33.5 m-85 -153.69 145.29 23.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -100.77 129.65 46.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -129.32 149.31 51.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.466 ' HE3' ' CG ' ' A' ' 55' ' ' PHE . 6.4 ptpt -145.97 133.96 21.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.57 HG21 ' CG ' ' A' ' 28' ' ' TRP . 2.0 p -88.05 129.45 39.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.501 HD12 ' HG3' ' A' ' 45' ' ' GLU . 5.9 mt -120.01 116.26 49.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -91.6 117.55 29.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.472 ' CE1' ' HB2' ' A' ' 41' ' ' SER . 0.4 OUTLIER -128.14 163.02 25.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.77 164.29 19.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 m -54.14 -20.05 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.1 -47.23 13.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.04 -156.31 10.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.569 1.168 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 1.5 pttp -131.26 156.67 45.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.84 -166.92 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -76.13 150.06 82.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.473 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.01 159.6 41.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -91.15 175.33 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.96 128.15 26.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.3 t -72.77 122.44 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.7 m -101.35 162.45 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.32 141.95 49.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -144.06 170.78 15.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -132.33 146.81 52.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.2 p -92.56 177.19 6.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.588 ' O ' HG23 ' A' ' 21' ' ' ILE . 3.7 m -95.76 162.77 23.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 160.97 39.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.73 126.24 54.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m -133.04 -58.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.76 167.18 20.89 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.563 1.823 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.59 -57.97 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.8 p -138.59 99.61 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -50.03 162.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.066 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -131.31 108.75 9.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.17 -143.25 11.95 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -120.06 101.17 7.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -138.25 77.66 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.39 -136.72 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 162.8 36.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -69.94 -175.53 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.8 ttt -74.98 120.02 79.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.09 167.39 27.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.08 137.13 34.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 146.4 1.63 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.07 11.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.542 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.2 m -84.13 -170.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.4 tp -141.15 96.39 2.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.537 HG23 ' HB2' ' A' ' 27' ' ' GLN . 41.8 p -65.8 -55.5 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.05 143.95 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -114.82 115.11 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.91 161.12 22.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 101' ' ' CYS . 6.6 mt -67.98 -34.67 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.0 p -131.7 22.67 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.51 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 64.8 p-90 -156.36 153.96 29.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.007 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 19' ' ' ALA . 63.5 mt -140.3 121.36 14.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.2 100.91 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 44' ' ' LEU . 54.8 mt -93.09 161.79 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.542 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -143.95 112.61 6.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.428 ' CG ' HG21 ' A' ' 81' ' ' VAL . 39.8 p90 -112.19 163.37 14.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.62 173.68 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 165.09 31.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.43 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 m -39.5 141.62 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.67 54.27 16.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -58.91 160.29 11.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -58.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.08 170.98 13.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -78.82 59.46 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.54 -165.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.91 94.95 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.2 mt -73.68 148.45 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -104.42 160.56 14.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 110.015 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.421 ' CE1' HD23 ' A' ' 64' ' ' LEU . 4.0 m-85 -139.96 123.9 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.419 HD11 ' CD2' ' A' ' 84' ' ' TYR . 20.4 mt -96.66 123.48 48.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.785 HD21 HD12 ' A' ' 26' ' ' LEU . 21.3 tp -87.02 110.52 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.525 ' HG3' HD12 ' A' ' 82' ' ' ILE . 17.9 mt-10 -94.24 162.19 13.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.493 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -162.09 140.23 8.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -151.14 141.05 21.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -126.51 119.87 28.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 46.11 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.5 p -67.8 177.7 2.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.17 -62.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.015 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.73 55.53 0.42 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -158.8 -50.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.85 162.98 20.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.429 ' CG ' ' HE3' ' A' ' 80' ' ' LYS . 10.3 m-85 -42.62 126.21 3.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -101.26 149.75 36.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.0 133.5 16.67 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.771 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HE3' HG13 ' A' ' 68' ' ' VAL . 5.5 mmmt -102.97 -61.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -108.75 151.75 25.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -146.0 84.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.89 -165.41 12.77 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -123.15 46.72 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -116.57 154.98 29.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.421 HD23 ' CE1' ' A' ' 42' ' ' TYR . 25.3 mt -99.21 29.05 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.34 147.64 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -156.85 158.78 37.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -117.37 105.28 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.466 HG13 ' HE3' ' A' ' 58' ' ' LYS . 18.7 t -70.54 148.11 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -136.18 172.06 13.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.733 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.0 m-80 59.26 78.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 70' ' ' ASN . 21.8 mt -136.74 -176.97 4.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.68 144.92 48.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 142.44 58.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.2 p 42.08 78.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.5 m -147.51 128.01 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.99 124.81 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -132.43 144.41 50.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' CG ' ' HG3' ' A' ' 97' ' ' GLU . 11.0 mtpt -111.31 136.21 50.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 81.4 m-85 -133.7 146.86 51.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.582 ' HB3' HG22 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -143.1 132.12 22.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG13 ' HG2' ' A' ' 11' ' ' PRO . 1.5 p -85.58 132.14 32.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.525 HD12 ' HG3' ' A' ' 45' ' ' GLU . 6.8 mt -122.93 112.97 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.24 119.46 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -126.83 161.34 28.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.402 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 7.8 t30 -124.0 152.7 42.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -45.54 -25.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.04 -47.33 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.91 176.11 45.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.99 157.64 16.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.41 -164.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -76.94 150.03 80.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.94 160.44 40.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t -92.1 177.67 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.991 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.71 131.08 48.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 80' ' ' LYS . 92.5 t -77.03 119.56 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.9 m -102.38 167.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 tt0 -133.08 153.66 51.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.486 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 35.9 m-85 -153.63 173.18 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 m -138.7 150.14 45.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.7 p -93.14 175.42 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.496 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -88.76 167.36 18.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.291 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.76 19.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -141.76 120.07 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.0 t -86.09 70.92 10.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.73 144.39 11.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.11 15.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.1 p -56.78 149.35 18.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.65 -58.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.09 116.57 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 p -146.36 -60.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.99 -114.48 0.37 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.92 98.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 110.034 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -157.69 115.49 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.35 -136.75 2.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.53 16.17 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -73.11 -174.26 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.6 ttt -78.26 120.49 81.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.51 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.03 164.43 33.3 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.441 1.758 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.7 136.73 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.462 ' HB3' HG13 ' A' ' 96' ' ' VAL . 0.4 OUTLIER -46.99 146.41 2.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.003 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.498 ' O ' HG21 ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.95 136.3 20.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 27' ' ' GLN . 3.2 m -91.13 -169.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.759 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.3 tp -138.19 87.33 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.425 HG21 ' HG3' ' A' ' 27' ' ' GLN . 43.4 p -56.17 -61.05 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.72 131.28 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.759 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -110.28 118.65 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.11 -165.3 31.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.41 HG21 ' HA ' ' A' ' 103' ' ' ASP . 11.8 mt -90.51 -47.85 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.3 p -119.96 31.48 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.35 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 68.4 p-90 -163.35 158.72 21.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 108.01 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.458 HD12 HD13 ' A' ' 71' ' ' LEU . 35.1 mt -147.53 123.38 10.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.0 101.28 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 79' ' ' PHE . 30.7 mt -94.93 165.94 12.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' HG3' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -146.37 125.89 13.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.6 ' CG ' HG21 ' A' ' 81' ' ' VAL . 49.1 p90 -132.56 165.44 24.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.13 161.56 34.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.9 163.76 0.47 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.17 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m -98.41 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.05 86.98 0.45 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -67.23 157.4 85.32 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.522 ' HD2' HD11 ' A' ' 40' ' ' ILE . 18.2 Cg_endo -75.07 -39.66 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.71 -72.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -177.01 -58.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.38 170.86 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.41 19.52 13.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.522 HD11 ' HD2' ' A' ' 35' ' ' PRO . 52.7 mt -90.87 145.15 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -117.86 158.18 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.617 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -135.5 142.62 45.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.9 mt -108.46 127.42 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 26' ' ' LEU . 20.3 tp -87.55 108.9 19.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.576 ' HG3' HD12 ' A' ' 82' ' ' ILE . 2.8 mt-10 -100.37 149.6 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.41 ' HB3' ' CD ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -156.13 139.23 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.28 150.02 49.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.32 -55.5 10.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -148.4 178.77 8.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -41.23 132.84 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.437 ' O ' ' CE2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -178.54 -72.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.945 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 53' ' ' TYR . . . 85.22 43.53 6.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.05 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.437 ' CE2' ' O ' ' A' ' 51' ' ' SER . 85.5 m-85 -158.15 -45.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.73 0.31 61.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 7.8 m-85 -53.3 122.98 10.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.734 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -109.67 147.82 36.89 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 132.6 15.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.546 1.814 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' HE3' ' CG1' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -109.25 -54.17 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.438 ' OH ' ' N ' ' A' ' 63' ' ' ASP . 38.8 t80 -111.82 154.08 25.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -159.36 81.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.6 -171.42 17.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -94.66 -9.53 34.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 10.8 m-20 -71.59 158.55 36.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.617 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 1.3 mt -112.64 23.19 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -152.8 135.59 15.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -149.4 158.4 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.1 m -119.79 100.62 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.456 ' CG1' HD21 ' A' ' 71' ' ' LEU . 78.4 t -63.31 148.81 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -136.04 168.84 18.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.448 ' O ' HD23 ' A' ' 71' ' ' LEU . 87.4 m-20 61.93 72.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.458 HD13 HD12 ' A' ' 24' ' ' LEU . 49.6 mt -128.7 -166.43 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -122.53 149.34 44.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.29 153.49 31.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 41.09 61.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 76' ' ' LYS . 96.0 m -142.39 169.54 17.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.445 ' N ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -124.82 151.64 44.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -153.73 142.76 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' HB3' ' CG1' ' A' ' 95' ' ' VAL . 16.2 mtpt -94.96 148.69 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.47 ' CD2' HD11 ' A' ' 26' ' ' LEU . 53.6 m-85 -142.32 144.99 33.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.536 ' HB3' HG22 ' A' ' 95' ' ' VAL . 1.3 pttp -143.65 125.64 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.6 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.6 p -84.0 126.61 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.576 HD12 ' HG3' ' A' ' 45' ' ' GLU . 9.5 mt -118.09 117.92 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -95.83 118.94 33.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -127.2 162.44 26.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 88' ' ' GLY . 1.6 t-20 -123.6 151.56 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.5 m -48.76 -22.97 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -79.31 -47.45 15.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 85' ' ' ASN . . . -163.8 -164.93 20.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' CD ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -115.95 -170.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.78 -167.71 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -82.05 146.07 54.47 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.452 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.01 163.91 34.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.557 1.819 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.7 t -96.06 163.91 12.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -47.39 125.66 8.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 80' ' ' LYS . 91.3 t -69.42 124.8 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 14' ' ' PRO . 34.6 m -102.46 163.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -125.82 144.01 50.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 14.6 m-85 -146.83 165.21 30.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -131.08 155.48 46.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 62.0 p -96.87 178.1 5.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.436 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.0 165.56 14.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 108.337 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.71 18.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.41 ' HA ' HG21 ' A' ' 21' ' ' ILE . 8.7 t0 -75.28 -56.73 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.1 t -89.29 -55.45 3.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.22 174.23 30.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 68.87 5.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.521 1.8 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.12 82.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.975 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.2 145.99 55.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.98 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.81 130.16 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.21 -54.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.74 -81.1 0.72 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.35 108.43 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.1 p -159.68 116.38 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.948 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.69 153.49 6.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.138 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.35 40.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -173.74 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.6 ttt -69.96 117.26 52.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.428 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.97 176.21 10.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.63 139.99 30.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.68 147.56 1.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.04 11.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 27' ' ' GLN . 3.6 m -81.78 -176.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 98' ' ' PHE . 3.2 tp -140.9 95.42 2.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.4 p -66.97 -57.15 7.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.17 146.91 50.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.52 117.45 29.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.511 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -100.42 166.5 19.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.427 HG12 ' CB ' ' A' ' 101' ' ' CYS . 26.0 mt -70.31 -41.79 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.3 p -125.34 23.35 7.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.511 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 65.0 p-90 -155.68 154.13 31.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 108.014 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.406 HD12 HD13 ' A' ' 71' ' ' LEU . 25.9 mt -143.31 114.54 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.41 103.22 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.053 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.967 HD12 HD21 ' A' ' 44' ' ' LEU . 31.1 mt -99.85 164.36 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.795 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -148.96 115.9 6.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.695 ' CG ' HG21 ' A' ' 81' ' ' VAL . 44.1 p90 -115.64 164.4 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 107.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -125.5 164.06 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -83.83 159.97 59.34 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.96 10.56 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.76 -88.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.44 86.02 0.19 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 p -78.18 157.36 78.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.557 0.798 . . . . 0.0 110.438 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -163.1 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.36 173.63 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.39 112.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.28 161.99 21.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.32 111.16 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.9 mt -115.86 145.43 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.34 143.85 43.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.58 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 2.9 m-85 -125.69 136.53 53.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.59 HD11 ' CD2' ' A' ' 84' ' ' TYR . 5.3 mt -101.27 112.97 36.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.967 HD21 HD12 ' A' ' 26' ' ' LEU . 20.5 tp -82.14 117.39 22.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.76 161.79 13.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.3 ttp -162.43 123.67 2.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.49 128.9 56.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.54 -55.86 19.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -165.67 -60.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.42 148.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.5 m -156.64 -53.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.56 -63.95 0.24 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -49.63 -47.47 49.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.53 -153.41 17.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.144 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -64.07 157.8 24.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 0.748 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -132.95 147.16 64.31 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.16 28.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -48.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.588 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 52.6 t80 -110.33 158.95 17.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.62 77.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.0 171.12 24.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -94.93 46.63 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.32 148.08 45.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.58 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 27.4 mt -95.84 29.13 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.02 141.12 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.588 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 72.4 t80 -149.41 153.35 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 m -112.6 96.91 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.0 t -58.28 147.02 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -134.57 178.83 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.759 ' O ' HD23 ' A' ' 71' ' ' LEU . 0.9 OUTLIER 47.82 85.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 70' ' ' ASN . 29.1 mt -140.57 -164.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -125.49 151.65 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -73.61 137.4 44.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.354 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.84 79.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.29 142.39 26.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.01 128.89 34.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.499 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 6.3 m-85 -138.23 152.64 48.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.44 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -110.99 151.49 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 77' ' ' TYR . 87.8 m-85 -150.1 137.34 19.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.4 ' HB3' HG22 ' A' ' 95' ' ' VAL . 8.8 ptpt -139.27 126.08 20.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.695 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.4 p -78.84 127.74 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 11.1 mt -120.93 109.39 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.418 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.42 125.5 35.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -135.94 164.51 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.16 155.07 37.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -20.23 4.4 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -85.43 -47.25 10.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.3 172.34 39.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 2.6 ptmm? -110.74 162.87 14.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.47 -166.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -82.39 155.24 69.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.458 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.98 163.71 34.82 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 t -94.4 177.26 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -55.78 125.7 22.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.44 HG11 ' CD ' ' A' ' 78' ' ' LYS . 75.7 t -70.83 117.77 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.5 m -101.06 171.98 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -132.9 146.65 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.473 ' CE2' HD22 ' A' ' 26' ' ' LEU . 13.0 m-85 -144.71 176.5 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -144.82 147.0 32.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.5 p -88.74 175.09 7.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.427 ' CB ' HG12 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -67.36 167.25 15.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 108.315 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' SER . 18.2 Cg_endo -75.05 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.5 t0 70.34 -63.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' PRO . 5.1 t 75.25 125.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -57.99 -179.15 0.86 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 82.03 2.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.4 t -141.35 -55.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.8 80.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -166.72 -62.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -125.49 111.99 15.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.11 137.67 14.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -132.78 -49.02 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.8 133.14 54.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.33 -121.2 4.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 132.96 16.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.35 -176.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.5 ttt -57.94 116.59 14.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.4 Cg_endo -75.02 174.48 12.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.57 137.25 32.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.38 147.62 3.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.98 11.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.433 1.754 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.596 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.3 m -86.74 -174.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.9 tp -137.39 103.42 5.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p -74.23 -56.85 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.402 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.42 129.99 38.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.525 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -100.47 116.91 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -96.83 173.29 29.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.43 ' CG2' ' HB2' ' A' ' 103' ' ' ASP . 79.0 mt -75.43 -49.47 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -118.37 24.45 10.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 68.0 p-90 -156.97 154.46 29.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 mt -139.15 116.36 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.04 100.01 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' CE2' ' A' ' 98' ' ' PHE . 57.5 mt -93.66 166.23 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.596 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -149.54 114.06 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.499 ' CG ' HG21 ' A' ' 81' ' ' VAL . 39.1 p90 -120.26 160.67 22.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 p -126.15 175.75 7.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 159.13 64.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -92.12 143.33 26.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' SER . . . 37.65 84.45 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.627 HG21 HD11 ' A' ' 40' ' ' ILE . 3.6 p -72.56 154.31 91.58 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.443 0.731 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' SER . 18.2 Cg_endo -75.06 56.6 4.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.4 OUTLIER 39.2 85.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -149.49 95.57 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -52.07 99.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.8 118.28 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.627 HD11 HG21 ' A' ' 34' ' ' THR . 47.5 mt -107.68 145.02 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.517 ' HB2' ' CE1' ' A' ' 84' ' ' TYR . 1.0 OUTLIER -102.89 138.96 39.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -126.03 131.99 52.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 84' ' ' TYR . 8.1 mt -100.51 122.07 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 26' ' ' LEU . 18.4 tp -87.38 110.48 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -98.36 162.76 13.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.556 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.84 137.12 6.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 55' ' ' PHE . 1.7 tm-20 -135.55 135.91 40.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -167.12 -73.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.689 ' O ' HG23 ' A' ' 50' ' ' THR . 8.8 tp10 -134.77 81.39 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 49' ' ' GLU . 3.6 p -159.86 72.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.47 170.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.03 49.3 1.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -105.21 24.16 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.03 -162.16 52.87 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' CG ' ' HE3' ' A' ' 80' ' ' LYS . 14.1 m-85 -72.13 138.66 47.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 0.792 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -114.79 149.25 42.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.493 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.03 140.54 25.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.98 -46.7 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.623 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.1 t80 -115.19 162.77 16.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.67 90.06 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.04 -173.64 21.2 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -114.23 36.8 3.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -111.84 152.37 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.6 mt -95.18 31.43 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.93 147.14 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.623 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 53.4 t80 -152.56 158.66 42.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -115.21 98.82 6.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 5.7 t -65.93 145.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -135.49 179.24 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.686 ' O ' HD23 ' A' ' 71' ' ' LEU . 12.4 m-20 60.99 70.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 70' ' ' ASN . 20.9 mt -134.45 -176.71 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.8 155.43 41.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.9 150.48 45.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.18 75.14 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.9 m -149.04 164.49 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 147.51 44.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -149.68 151.0 32.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -106.77 131.46 53.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 70.7 m-85 -132.5 144.34 50.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.762 ' HB3' HG22 ' A' ' 95' ' ' VAL . 2.5 pttt -139.26 129.2 24.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.499 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.4 p -80.39 127.19 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 10.0 mt -118.36 111.82 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.456 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.31 122.86 33.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.517 ' CE1' ' HB2' ' A' ' 41' ' ' SER . 0.5 OUTLIER -136.6 164.14 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -123.64 163.08 21.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -57.08 -17.16 9.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -85.09 -47.22 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.26 -168.33 28.27 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -126.22 158.87 34.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.7 -168.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -74.86 151.99 86.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.1 Cg_endo -75.01 163.55 35.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -97.86 162.41 13.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.47 129.36 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.762 HG22 ' HB3' ' A' ' 80' ' ' LYS . 87.7 t -75.79 118.54 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.5 m -100.76 168.35 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -129.5 153.52 47.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.525 ' CE2' HD22 ' A' ' 26' ' ' LEU . 20.1 m-85 -148.35 174.67 11.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.3 m -138.36 153.98 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.6 p -97.46 -172.72 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -101.63 167.26 10.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 108.278 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 146.45 32.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.43 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 12.1 t0 -135.13 134.18 39.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 t -159.41 109.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.946 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 111.64 159.53 15.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -40.59 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.0 p -101.9 123.84 46.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t -127.58 149.15 50.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -119.14 124.16 46.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 109.998 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -128.77 118.63 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.84 106.57 0.19 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -176.39 109.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 110.034 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -166.14 135.53 3.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.07 -136.69 0.2 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -179.17 4.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -73.87 -175.11 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.486 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 7.2 ttt -72.12 122.63 87.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.01 -179.71 5.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.96 141.63 29.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.13 146.12 3.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 126.72 10.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 27' ' ' GLN . 2.9 m -80.93 179.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.653 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.5 tp -135.45 86.18 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.5 p -56.42 -61.27 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.442 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.77 138.35 52.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -113.72 115.7 28.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.511 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.05 -172.9 37.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.623 HG23 ' O ' ' A' ' 101' ' ' CYS . 19.2 mt -87.18 -44.13 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.4 p -121.88 17.74 10.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.511 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.8 p-90 -148.95 156.74 42.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 107.956 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.612 HD12 HD13 ' A' ' 71' ' ' LEU . 33.9 mt -146.45 115.07 6.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.98 100.17 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.447 HD22 ' CE2' ' A' ' 98' ' ' PHE . 49.1 mt -95.65 162.99 13.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.645 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -147.16 113.14 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.659 ' CG ' HG21 ' A' ' 81' ' ' VAL . 33.5 p90 -113.58 160.2 18.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 107.989 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -122.85 166.22 15.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.22 162.02 35.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.447 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . 18.2 Cg_endo -75.03 -177.88 3.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -97.37 173.56 7.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 37.69 45.53 1.48 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 p -67.07 161.59 61.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.43 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.69 -72.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 178.85 53.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 39' ' ' GLY . 2.2 pt-20 -84.9 67.1 10.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 38' ' ' GLU . . . 39.74 93.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.5 mt -108.9 133.11 55.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.773 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 4.6 m -126.25 151.4 47.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.601 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 10.5 m-85 -124.98 121.78 35.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 59' ' ' TYR . 70.4 mt -98.45 120.31 47.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.505 HD23 HG22 ' A' ' 68' ' ' VAL . 21.1 tp -80.52 110.0 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -93.44 164.5 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 1.5 tmm? -159.82 143.63 14.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -133.41 124.44 27.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -108.56 158.24 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -68.98 171.36 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.1 p 39.35 82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.46 -55.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.039 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.32 73.4 0.49 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -154.33 -50.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.66 -168.17 22.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.519 ' CZ ' ' HE2' ' A' ' 80' ' ' LYS . 13.0 m-85 -81.47 119.87 24.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 58.1 mmtt -100.2 148.02 34.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.4 Cg_endo -74.96 141.27 26.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -117.33 -48.91 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.371 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.629 ' O ' HG23 ' A' ' 43' ' ' ILE . 28.4 t80 -118.44 160.33 21.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -161.59 86.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.11 170.78 29.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -96.94 44.13 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.55 146.75 43.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.601 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 17.9 mt -96.58 34.68 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.97 134.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 60.1 t80 -145.9 156.22 43.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.9 m -114.6 99.04 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.505 HG22 HD23 ' A' ' 44' ' ' LEU . 61.3 t -67.16 121.9 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -112.2 174.48 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.562 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.6 m-80 65.09 75.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.612 HD13 HD12 ' A' ' 24' ' ' LEU . 42.8 mt -134.56 178.94 6.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.37 156.56 28.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.46 137.67 48.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 42.3 75.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.1 m -145.03 137.27 25.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.373 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 146.46 29.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 10.4 m-85 -152.36 147.55 26.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -110.41 134.55 52.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 77' ' ' TYR . 92.4 m-85 -137.09 139.23 41.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.519 ' HE2' ' CZ ' ' A' ' 55' ' ' PHE . 4.9 ptpt -139.02 124.98 19.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.659 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.3 p -78.46 133.35 30.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.2 mt -126.73 114.92 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -93.36 122.32 35.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 0.2 OUTLIER -126.44 161.54 27.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 1.5 t30 -123.79 151.8 42.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 m -49.28 -22.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -78.9 -42.4 27.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.19 -165.68 29.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.9 175.6 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -131.17 -165.22 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -86.17 149.49 50.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.45 27.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.486 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 6.2 t -103.9 159.2 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.74 120.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.489 HG22 ' HB3' ' A' ' 80' ' ' LYS . 67.8 t -68.09 120.65 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.8 m -102.46 169.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -132.59 144.9 50.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.334 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.577 ' CD1' HD22 ' A' ' 16' ' ' LEU . 15.2 m-85 -145.82 154.74 42.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 m -127.13 146.51 50.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.471 HG22 HD21 ' A' ' 24' ' ' LEU . 35.6 p -91.53 175.25 6.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.623 ' O ' HG23 ' A' ' 21' ' ' ILE . 1.1 m -95.05 166.51 14.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.54 29.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -87.58 -55.79 3.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.5 t -147.78 167.05 25.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 133.16 97.97 0.65 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 146.78 33.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.2 p -97.86 94.17 6.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.9 t 61.37 -86.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -136.54 144.53 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.0 111.29 6.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.96 76.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -72.64 117.75 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -160.45 99.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.6 -155.86 24.35 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 179.76 5.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.553 1.818 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -89.26 -174.21 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.7 ttt -66.89 120.89 75.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.04 -175.81 2.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.83 136.41 40.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.89 144.84 1.78 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.72 10.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 27' ' ' GLN . 3.4 m -82.22 176.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 98' ' ' PHE . 8.7 tp -126.08 81.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.567 HG23 ' HB2' ' A' ' 27' ' ' GLN . 17.9 p -53.76 -54.42 38.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.369 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.67 140.51 38.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.538 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -112.9 117.52 32.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.507 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.37 178.73 31.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.512 HG21 ' HB2' ' A' ' 103' ' ' ASP . 50.1 mt -79.64 -47.95 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -120.54 29.92 7.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.507 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.3 p-90 -163.23 156.45 19.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 19' ' ' ALA . 46.6 mt -143.92 114.24 7.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.8 103.67 16.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.482 HD12 HD21 ' A' ' 44' ' ' LEU . 18.6 mt -100.95 163.41 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.567 ' HB2' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -140.85 124.38 16.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.527 ' CG ' HG21 ' A' ' 81' ' ' VAL . 38.3 p90 -130.31 160.28 34.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 m -126.74 171.45 11.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 160.5 38.06 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . 18.0 Cg_endo -75.03 83.92 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER 49.88 -167.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 32' ' ' SER . . . -35.07 -65.95 0.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.423 ' OG1' ' HD2' ' A' ' 35' ' ' PRO . 0.5 OUTLIER 55.53 163.67 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.423 ' HD2' ' OG1' ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.01 -50.81 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.675 ' O ' HD11 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -80.78 108.21 14.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.94 -63.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.47 165.02 18.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.344 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.89 -19.35 47.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.675 HD11 ' O ' ' A' ' 36' ' ' SER . 64.7 mt -61.23 136.37 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m -103.76 147.72 26.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 13.5 m-85 -130.51 129.0 42.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.458 HD11 ' CD2' ' A' ' 84' ' ' TYR . 16.7 mt -97.91 117.83 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.482 HD21 HD12 ' A' ' 26' ' ' LEU . 29.5 tp -82.5 108.99 16.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' HG3' HD12 ' A' ' 82' ' ' ILE . 5.1 mt-10 -96.45 165.02 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.423 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 0.1 OUTLIER -162.24 136.76 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -129.43 121.05 26.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -177.68 -58.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.81 -65.01 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.404 HG21 ' HG3' ' A' ' 56' ' ' LYS . 59.2 p -43.65 159.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 52' ' ' GLY . 52.3 p -40.0 -68.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' OG ' ' A' ' 51' ' ' SER . . . 150.27 50.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -108.7 -50.35 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.794 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 47' ' ' GLU . . . -149.88 -179.09 25.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 47' ' ' GLU . 9.0 m-85 -93.2 163.28 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 2.9 mmtp -133.0 146.34 60.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -74.99 143.38 29.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.26 -46.07 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.607 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 40.6 t80 -116.37 159.44 21.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -159.29 87.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.95 -177.61 24.98 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -111.94 44.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.72 149.56 40.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 31.0 mt -94.22 30.93 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.22 141.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.607 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 79.5 t80 -147.79 158.84 44.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.1 m -117.49 96.43 5.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.62 146.89 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.79 176.53 8.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.457 ' O ' HD23 ' A' ' 71' ' ' LEU . 3.3 m-20 57.08 71.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 70' ' ' ASN . 41.7 mt -129.53 -171.99 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -123.12 148.86 45.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 147.29 49.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 39.76 77.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 76' ' ' LYS . 72.9 m -150.22 167.2 27.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 75' ' ' THR . 1.0 OUTLIER -124.1 129.77 51.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -132.88 144.55 50.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -96.82 132.36 42.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 46' ' ' MET . 54.1 m-85 -131.42 145.98 52.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.522 ' HE3' ' CG ' ' A' ' 55' ' ' PHE . 7.3 ptpt -141.69 135.56 29.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.7 p -88.29 127.57 41.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.474 HD12 ' HG3' ' A' ' 45' ' ' GLU . 7.5 mt -119.1 115.93 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -91.95 128.74 37.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -137.77 161.23 37.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 14.9 t30 -123.89 152.02 42.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -46.25 -25.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.72 -47.32 17.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.64 173.78 44.49 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.463 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -105.95 161.08 14.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.243 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.9 -166.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -76.15 154.18 84.46 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.465 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.99 163.91 34.4 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.97 168.39 10.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.07 130.55 10.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 80' ' ' LYS . 45.7 t -79.0 123.52 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.7 m -104.91 168.63 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 7.0 tt0 -132.27 154.11 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.558 ' CD1' HD22 ' A' ' 16' ' ' LEU . 30.0 m-85 -152.82 169.73 22.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.1 m -132.22 146.15 51.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.1 p -91.72 -178.31 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.65 169.8 8.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 108.259 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.7 14.06 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.512 ' HB2' HG21 ' A' ' 21' ' ' ILE . 24.8 t70 -155.27 147.19 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.8 p -152.26 -57.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.87 96.1 0.57 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.33 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 p -136.23 141.44 43.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.044 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.89 115.52 30.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.96 86.14 4.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.3 129.24 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.25 -129.32 2.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -120.0 99.43 6.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -93.9 101.85 13.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.86 -134.72 7.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 126.31 9.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.779 . . . . 0.0 111.037 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.3 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.3 ttt -58.33 116.42 14.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.07 163.89 34.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.12 136.88 37.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.91 146.59 5.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 127.56 10.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.529 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.4 m -84.68 -175.04 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.0 tp -138.51 89.53 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 18' ' ' LYS . 30.9 p -62.07 -60.25 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.3 OUTLIER -125.98 129.25 48.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.259 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.698 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -105.57 114.44 28.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.516 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -94.22 172.42 31.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.553 HG21 ' HB2' ' A' ' 103' ' ' ASP . 39.2 mt -75.58 -49.07 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.7 p -115.87 28.55 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.516 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.1 p-90 -165.77 155.6 12.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 71' ' ' LEU . 27.0 mt -141.14 119.85 12.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.83 100.88 13.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.53 HD12 HD21 ' A' ' 44' ' ' LEU . 23.9 mt -93.27 160.8 14.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.529 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -146.6 115.59 6.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.643 ' CG ' HG21 ' A' ' 81' ' ' VAL . 42.0 p90 -122.55 166.84 14.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 107.984 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 m -128.58 179.54 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.6 160.95 60.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 m -97.79 142.74 29.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.57 69.7 1.08 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.7 p -73.07 157.64 88.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.408 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -40.02 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.1 p -119.15 162.93 17.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.6 -58.16 9.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.51 172.48 14.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.31 19.71 7.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.3 mt -96.13 139.48 19.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.759 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.598 ' OG ' ' CE2' ' A' ' 84' ' ' TYR . 59.2 p -119.55 151.49 38.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.06 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.489 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 6.9 m-85 -124.18 130.74 53.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.46 HD11 ' CD2' ' A' ' 84' ' ' TYR . 13.1 mt -96.59 116.38 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.53 HD21 HD12 ' A' ' 26' ' ' LEU . 24.5 tp -81.78 111.07 17.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -96.22 165.49 12.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.487 ' HG3' ' CE1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.76 150.78 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -114.99 115.88 27.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -166.51 109.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -151.22 177.59 10.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.258 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.91 -37.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.388 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.69 -50.9 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.72 94.69 1.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -154.85 89.66 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.786 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.2 158.38 15.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.494 ' CD2' ' HE3' ' A' ' 80' ' ' LYS . 16.0 m-85 -111.44 150.55 29.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -130.32 152.06 79.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.6 28.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 -46.43 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 52.7 t80 -118.6 163.86 16.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -166.47 83.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.3 175.6 23.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.25 39.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.98 160.36 19.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.459 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 9.2 mt -107.87 24.34 13.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.17 140.75 9.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.599 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 87.9 t80 -151.19 155.49 38.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.0 m -115.65 104.36 11.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 93.0 t -68.75 146.1 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.5 176.95 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 59.92 66.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.477 HD13 HD12 ' A' ' 24' ' ' LEU . 39.1 mt -125.78 -174.73 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -125.79 144.02 50.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 149.9 47.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.46 77.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 76' ' ' LYS . 87.9 m -150.19 171.57 16.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.379 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' N ' HG22 ' A' ' 75' ' ' THR . 0.1 OUTLIER -120.93 121.95 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -135.55 155.46 50.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 79' ' ' PHE . 5.2 mtmt -114.07 171.08 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.608 ' O ' HG22 ' A' ' 96' ' ' VAL . 96.5 m-85 -163.18 133.68 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' HE3' ' CD2' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -134.01 125.29 27.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.643 HG21 ' CG ' ' A' ' 28' ' ' TRP . 2.1 p -80.34 128.3 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 7.1 mt -119.46 112.83 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -93.28 125.08 37.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.598 ' CE2' ' OG ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -132.89 161.55 33.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 88' ' ' GLY . 3.4 t30 -123.83 151.91 42.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -43.33 -26.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 85' ' ' ASN . 44.4 mt-10 -73.93 -47.53 37.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.335 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' ASN . . . -168.36 -157.83 11.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.16 149.28 52.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.75 -172.39 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -73.18 153.83 90.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -74.98 162.29 37.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.7 t -91.76 172.95 8.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.35 128.18 30.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.427 HG22 ' HB3' ' A' ' 80' ' ' LYS . 77.8 t -70.7 118.32 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 79' ' ' PHE . 34.5 m -100.56 160.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.565 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.0 mp0 -117.0 155.26 29.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 16.2 m-85 -156.08 166.56 33.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.7 m -140.48 147.9 40.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.4 p -86.61 178.24 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -95.81 166.98 13.4 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 127.75 10.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.553 ' HB2' HG21 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -85.58 102.22 13.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.8 t -137.18 100.59 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 48.67 -162.6 0.47 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 158.63 42.25 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 111.053 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -41.98 122.87 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 t 56.77 103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.3 p 45.03 84.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p 47.77 93.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.42 -175.4 13.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p 46.18 88.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -135.82 143.09 44.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.84 -121.04 4.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.103 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 134.25 17.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.801 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -59.87 -175.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 ttt -68.27 115.79 32.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.479 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 165.86 30.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.79 138.23 35.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.93 147.48 0.89 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.23 37.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.51 ' CG2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -110.76 164.89 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.984 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.5 tp -116.98 91.54 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -59.42 -58.14 9.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.46 130.5 44.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.984 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -102.68 120.33 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -102.91 169.02 18.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.0 mt -73.0 -54.92 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.598 0.822 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -111.1 24.81 12.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.408 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 67.7 p-90 -159.44 154.11 24.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 107.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' CD1' HD13 ' A' ' 71' ' ' LEU . 49.2 mt -137.78 115.48 11.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.99 100.7 12.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.96 HD12 HD21 ' A' ' 44' ' ' LEU . 15.4 mt -88.67 173.86 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.443 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 1.3 tt0 -164.83 125.97 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.438 ' CZ3' HD13 ' A' ' 44' ' ' LEU . 46.3 p90 -133.95 164.01 28.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 m -127.77 171.03 12.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.43 158.44 48.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 167.75 26.32 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -73.19 151.07 41.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' SER . . . 37.52 87.57 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -84.05 156.8 63.59 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -170.22 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.84 77.58 3.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -153.61 100.11 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.01 98.66 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.3 111.06 3.01 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.547 1.155 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.1 mt -102.1 148.88 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.73 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -115.82 143.13 45.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 5.6 m-85 -131.75 135.08 46.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.4 mt -97.19 118.43 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.96 HD21 HD12 ' A' ' 26' ' ' LEU . 26.9 tp -86.55 100.01 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.822 ' OE1' HD12 ' A' ' 82' ' ' ILE . 20.5 mp0 -92.65 160.33 15.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 9.9 ttp -160.45 134.16 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 2.6 mm-40 -149.03 142.98 25.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -91.09 115.55 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 43.48 -162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.85 143.55 57.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -162.48 132.06 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.27 -45.76 95.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -46.25 -56.32 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 110.965 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 103.77 162.82 25.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.148 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.495 ' CD2' ' HE2' ' A' ' 80' ' ' LYS . 9.2 m-85 -52.45 126.43 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -104.93 147.6 34.74 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.56 19.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.23 -39.61 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.56 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 57.9 t80 -120.12 160.22 23.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -166.69 84.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.91 -177.11 22.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -107.93 44.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.479 ' CG ' ' HH ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -118.41 153.86 33.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.6 mt -101.75 30.29 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.22 143.78 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 92.2 t80 -156.31 152.7 27.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.4 m -114.24 110.23 19.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.1 t -76.86 142.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.223 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -128.75 176.3 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 62.89 68.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 24' ' ' LEU . 68.1 mt -127.39 -174.44 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -128.97 142.04 51.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.249 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 147.24 30.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.424 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.3 OUTLIER 39.5 78.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.027 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.7 m -147.88 147.06 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.69 138.3 39.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.439 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 12.0 m-85 -145.32 146.33 31.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' CG ' ' HG2' ' A' ' 97' ' ' GLU . 23.6 mtpt -105.32 137.4 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 91.5 m-85 -132.5 145.1 50.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.684 ' HB3' HG22 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -137.63 130.84 30.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG21 ' CB ' ' A' ' 28' ' ' TRP . 1.0 OUTLIER -90.89 124.32 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.822 HD12 ' OE1' ' A' ' 45' ' ' GLU . 7.1 mt -118.54 120.68 64.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.479 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -96.3 121.11 37.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -129.8 162.5 28.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.408 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 53.2 m-20 -123.51 149.85 44.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.8 t -46.82 -24.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -80.62 -47.42 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.84 170.1 41.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 3.7 ptmm? -103.68 166.7 10.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.51 -163.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -82.5 152.73 67.54 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.475 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -75.01 162.47 37.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.4 t -100.15 175.41 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.21 128.85 35.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 80' ' ' LYS . 63.1 t -77.39 130.46 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -113.9 164.11 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -125.63 157.18 37.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 16' ' ' LEU . 25.9 m-85 -154.04 158.46 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.8 m -121.71 152.84 38.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 74' ' ' SER . 8.9 p -86.09 175.8 8.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -83.02 168.17 24.58 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 108.304 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.98 26.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -126.83 -63.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.58 119.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.06 119.05 6.38 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 162.47 37.04 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.33 106.42 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 t -167.01 79.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -76.67 137.77 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -125.79 93.7 3.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.36 143.26 5.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 p -155.0 154.56 32.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 p -106.29 162.47 13.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 156.91 7.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 143.19 28.69 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -169.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.0 ttp -77.12 122.1 85.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.99 170.73 19.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.93 136.88 33.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.484 ' HB2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -47.18 144.46 4.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.41 9.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 16' ' ' LEU . 1.1 m -82.55 -172.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.1 tp -134.48 88.25 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.0 p -61.23 -59.66 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.5 135.85 52.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.681 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -115.67 118.07 32.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -98.85 -166.55 30.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.598 HD13 ' HA ' ' A' ' 103' ' ' ASP . 8.0 mt -93.6 -43.71 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -121.98 21.14 10.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.484 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 68.2 p-90 -153.55 155.41 36.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 71' ' ' LEU . 30.7 mt -140.64 119.49 12.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.6 100.61 12.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.77 154.35 18.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.402 ' HB3' HG22 ' A' ' 15' ' ' VAL . 32.4 tt0 -137.72 131.3 31.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.583 ' CG ' HG21 ' A' ' 81' ' ' VAL . 42.9 p90 -131.88 163.9 27.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -125.44 178.34 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.852 ' HE2' HG23 ' A' ' 34' ' ' THR . 2.1 ptmt -81.23 166.92 35.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.662 ' HD2' HG22 ' A' ' 34' ' ' THR . 18.5 Cg_endo -74.98 56.07 4.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 t 52.62 99.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.937 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 38.09 91.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.852 HG23 ' HE2' ' A' ' 30' ' ' LYS . 41.6 p -54.5 160.67 2.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -168.59 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.462 1.769 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 m -51.5 147.38 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.1 t70 67.7 114.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.9 -172.88 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.24 24.26 9.76 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.593 HD12 HG21 ' A' ' 34' ' ' THR . 32.0 mt -67.94 144.9 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.494 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 50.0 m -117.2 159.04 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.431 ' CE1' HD23 ' A' ' 64' ' ' LEU . 5.1 m-85 -130.48 131.82 45.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.2 mt -100.4 134.83 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.427 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 19.7 tp -104.57 108.11 19.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -97.61 164.35 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.457 ' HE2' ' CG ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -155.66 135.39 12.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 0.2 OUTLIER -140.1 164.5 29.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.93 -166.27 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.41 -174.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.75 128.28 23.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.4 p -152.28 -51.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 53' ' ' TYR . . . 106.59 81.49 1.42 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 52' ' ' GLY . 27.8 m-85 -169.97 -57.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 106.17 166.2 23.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.531 ' CD1' ' HB2' ' A' ' 47' ' ' GLU . 5.2 m-85 -56.84 127.63 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -112.86 149.5 41.35 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.66 15.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.774 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.69 -34.75 5.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.605 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 46.3 t80 -124.03 163.77 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.17 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -166.25 82.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.06 -175.98 22.72 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -111.79 42.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.65 154.91 24.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.431 HD23 ' CE1' ' A' ' 42' ' ' TYR . 16.0 mt -101.83 29.41 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.28 143.35 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.605 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 91.3 t80 -152.97 159.0 42.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -122.55 106.04 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.8 t -69.91 151.14 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -142.26 170.07 16.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 65.66 60.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.441 HD13 HD12 ' A' ' 24' ' ' LEU . 61.8 mt -120.2 -168.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.73 150.49 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.448 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -73.33 140.12 46.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.45 77.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.8 m -149.17 156.77 42.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.358 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -109.71 115.73 30.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.457 ' CG ' ' HE2' ' A' ' 46' ' ' MET . 12.6 m-85 -123.48 147.69 46.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.519 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -99.69 160.5 14.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.471 ' O ' HG22 ' A' ' 96' ' ' VAL . 97.8 m-85 -158.79 141.95 14.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.431 ' CE ' ' CD2' ' A' ' 55' ' ' PHE . 8.3 ptpt -146.4 127.52 14.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.583 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.1 p -83.07 130.12 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 12.8 mt -120.78 114.35 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -90.18 117.25 28.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.494 ' CE2' ' HB2' ' A' ' 41' ' ' SER . 0.3 OUTLIER -126.43 162.5 25.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 88' ' ' GLY . 1.8 m-20 -123.7 150.71 43.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 t -42.19 -27.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 85' ' ' ASN . 1.5 mt-10 -73.67 -47.85 36.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.88 -155.72 9.57 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.51 157.11 45.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 0.798 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.55 -164.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -77.94 151.92 79.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.6 Cg_endo -74.96 165.4 31.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.769 . . . . 0.0 111.056 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.7 t -92.41 175.81 6.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.57 116.12 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.519 HG11 ' CD ' ' A' ' 78' ' ' LYS . 88.1 t -57.08 131.55 20.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 13' ' ' SER . 35.6 m -112.38 168.27 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -134.03 136.14 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -139.67 171.44 14.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -138.71 148.76 44.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.1 p -80.51 179.66 7.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.14 168.24 9.49 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.9 8.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.598 ' HA ' HD13 ' A' ' 21' ' ' ILE . 1.7 p-10 -51.84 -53.79 36.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -125.58 154.24 42.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -134.29 -81.62 0.16 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.1 t 61.5 91.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.23 97.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.18 157.86 31.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.753 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t -108.31 89.84 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.64 -112.43 0.53 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.16 151.33 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.786 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -178.53 101.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.86 155.03 6.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.55 39.51 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -66.75 -178.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.4 ttt -62.67 119.6 52.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.476 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 Cg_endo -75.01 -170.53 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.1 138.07 39.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.25 144.29 4.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.414 ' O ' HG21 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 135.29 18.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 27' ' ' GLN . 2.3 m -90.07 -177.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.6 tp -136.37 86.63 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.557 HG23 ' HB2' ' A' ' 27' ' ' GLN . 46.8 p -55.85 -57.05 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.89 137.31 44.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.745 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -112.07 115.16 28.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -94.28 -173.33 38.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.475 HG21 ' HB2' ' A' ' 103' ' ' ASP . 38.3 mt -87.49 -43.54 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 p -121.41 24.01 10.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.501 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 60.4 p-90 -159.23 155.87 27.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 19' ' ' ALA . 71.6 mt -141.74 115.73 9.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.81 101.9 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.604 HD12 HD21 ' A' ' 44' ' ' LEU . 19.6 mt -94.69 162.61 13.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.662 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -150.48 111.28 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.465 ' CZ3' HD13 ' A' ' 44' ' ' LEU . 39.4 p90 -115.01 164.0 14.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 107.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -124.7 165.53 17.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.29 164.51 18.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 162.17 37.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.553 1.818 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.77 125.28 25.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 45.0 84.13 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 p -60.46 157.69 34.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 36' ' ' SER . 18.2 Cg_endo -75.02 55.87 4.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER 39.28 85.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 166.6 103.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.4 163.05 21.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.06 19.24 22.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.64 151.05 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.401 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 15.1 m -117.19 161.69 19.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 4.0 m-85 -142.08 127.77 19.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.9 mt -99.74 121.1 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.604 HD21 HD12 ' A' ' 26' ' ' LEU . 28.9 tp -88.75 114.7 25.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.658 ' CD ' HD12 ' A' ' 82' ' ' ILE . 31.0 mp0 -108.02 156.83 18.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 21.1 ttp -152.12 127.91 10.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -124.72 138.62 54.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -179.24 -39.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -176.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.612 ' O ' HG23 ' A' ' 50' ' ' THR . 13.6 t -96.16 55.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.4 p -84.8 149.4 25.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.33 51.36 0.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -151.96 -45.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 0.726 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.49 -135.18 7.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.599 ' CD2' ' CE ' ' A' ' 80' ' ' LYS . 5.3 m-85 -82.09 133.49 35.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 4.9 mmmt -112.54 147.44 37.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -75.04 141.02 26.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.35 -43.59 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.6 t80 -115.36 154.11 29.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.35 84.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.04 171.89 30.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.55 36.3 1.39 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 0.734 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.22 157.2 17.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.5 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 13.5 mt -104.09 27.48 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -175.36 141.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 48.4 t80 -145.23 153.46 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.4 m -104.84 94.91 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 58.8 t -62.04 142.72 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -134.76 167.42 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 69.89 64.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.417 HD13 HD12 ' A' ' 24' ' ' LEU . 43.2 mt -125.45 -175.67 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -119.05 148.15 43.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' CB ' HG23 ' A' ' 21' ' ' ILE . 11.6 ptt-85 -70.09 147.21 50.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 26.0 p 39.63 67.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -143.83 165.02 28.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.421 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' N ' ' CG2' ' A' ' 75' ' ' THR . 0.2 OUTLIER -116.98 145.47 43.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -147.19 146.76 29.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -98.94 142.17 30.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 92.3 m-85 -140.45 149.37 42.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.692 ' HB3' HG22 ' A' ' 95' ' ' VAL . 5.4 ptpt -146.48 130.4 17.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.435 HG13 ' HG2' ' A' ' 11' ' ' PRO . 1.1 p -89.85 130.29 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.658 HD12 ' CD ' ' A' ' 45' ' ' GLU . 8.5 mt -120.64 118.55 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.476 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -92.09 116.19 28.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -123.39 162.28 23.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.9 OUTLIER -123.71 150.61 44.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.4 t -42.7 -26.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 85' ' ' ASN . 2.6 mt-10 -74.09 -47.64 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.78 -155.8 9.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -130.45 153.48 48.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.34 -162.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -81.26 152.79 71.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.462 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.99 159.31 41.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.68 -179.71 4.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.068 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.73 129.21 40.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.692 HG22 ' HB3' ' A' ' 80' ' ' LYS . 45.7 t -78.37 122.05 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 14' ' ' PRO . 35.5 m -101.16 162.78 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 144.49 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 19.5 m-85 -145.2 170.72 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 m -134.35 146.73 50.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.358 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.2 p -78.33 -179.76 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.92 168.54 12.84 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.53 40.88 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.475 ' HB2' HG21 ' A' ' 21' ' ' ILE . 3.2 t70 -126.8 160.23 31.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.5 t 64.01 141.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 84.32 90.28 0.79 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 141.37 26.51 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.1 m 61.94 102.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -144.07 124.54 13.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.38 -74.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.777 . . . . 0.0 110.043 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.81 -61.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.43 75.86 0.15 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.0 m -107.49 -68.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.17 141.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.027 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.35 -123.16 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.87 31.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.76 172.17 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.4 ttt -58.18 115.57 11.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.503 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.06 164.0 34.12 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.89 135.92 35.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.34 147.18 1.03 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.35 31.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.523 ' CG2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -108.98 165.14 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.014 HD21 ' HB2' ' A' ' 19' ' ' ALA . 5.9 tp -114.06 114.53 26.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.0 p -80.92 -48.38 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.69 129.11 22.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.014 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -101.67 117.84 35.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -97.73 177.33 31.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.47 HG21 ' HB2' ' A' ' 103' ' ' ASP . 33.6 mt -80.26 -43.77 22.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.8 p -123.46 27.6 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.436 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 64.7 p-90 -161.14 153.1 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.542 HD21 HG22 ' A' ' 100' ' ' THR . 41.3 mt -138.42 112.36 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.13 101.85 13.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.732 HD12 HD11 ' A' ' 44' ' ' LEU . 7.6 mt -88.88 175.02 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' VAL . 1.4 tt0 -158.47 123.88 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.1 p90 -133.75 161.2 35.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 108.035 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -132.2 166.14 22.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 160.1 75.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 155.58 42.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.63 128.22 35.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.953 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.6 102.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 p -82.71 156.07 68.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.1 4.15 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.516 1.798 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 71.8 m 41.06 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 36' ' ' SER . 0.6 OUTLIER 159.31 102.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -88.58 93.07 9.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.265 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.99 36.84 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.2 mt -86.12 147.85 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.458 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -114.7 170.57 8.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -145.6 125.15 13.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.524 HD11 ' CD2' ' A' ' 84' ' ' TYR . 13.7 mt -100.73 124.99 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.732 HD11 HD12 ' A' ' 26' ' ' LEU . 20.4 tp -92.47 117.49 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' HG3' HD12 ' A' ' 82' ' ' ILE . 10.2 mt-10 -104.46 164.37 11.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -161.14 135.36 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -119.16 140.96 49.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.07 162.23 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.97 3.01 33.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.2 p -117.15 120.2 37.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.01 142.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.68 113.37 4.21 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -160.21 85.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.25 -178.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.55 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 23.8 m-85 -67.19 130.47 43.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -124.1 148.55 57.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 126.07 9.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -34.76 7.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 72.6 t80 -124.22 152.51 42.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.58 83.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.76 -171.5 18.99 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -110.42 49.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.09 154.99 33.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -105.61 28.57 7.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.9 143.2 3.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 87.8 t80 -151.09 158.99 44.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.6 m -120.95 100.01 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.351 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.77 145.65 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -138.11 163.48 31.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 72.42 62.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.5 HD13 HD12 ' A' ' 24' ' ' LEU . 51.2 mt -120.06 -171.3 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -126.61 150.81 48.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.434 ' CB ' ' HB3' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -70.9 148.89 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 81.1 p 39.58 71.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.3 m -147.94 160.4 42.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.16 152.29 29.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -154.68 141.12 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -95.71 144.35 26.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -139.56 146.06 39.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HE3' ' CD1' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -146.99 124.76 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 p -80.17 133.55 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.47 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 13.0 mt -123.38 113.01 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.503 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.67 122.79 33.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CD2' HD11 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -131.67 159.94 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 5.0 t-20 -123.94 153.45 41.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.9 m -46.92 -24.78 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -76.44 -47.4 23.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.33 -174.67 37.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 153.2 32.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.53 -171.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.936 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -75.51 154.9 85.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.97 160.04 40.73 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -92.62 167.3 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -45.8 128.3 8.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.235 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 80' ' ' LYS . 88.7 t -71.98 130.83 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -116.54 165.54 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -130.15 157.21 43.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -154.24 158.95 41.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -120.88 148.9 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.542 HG22 HD21 ' A' ' 24' ' ' LEU . 24.5 p -92.89 -175.99 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.1 m -95.59 166.66 14.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.253 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.43 35.15 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.47 ' HB2' HG21 ' A' ' 21' ' ' ILE . 5.1 t0 -115.41 145.2 42.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.86 75.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.03 -85.68 0.68 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.26 42.89 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.9 p -141.32 93.22 2.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.83 108.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t 58.63 94.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.784 . . . . 0.0 109.972 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.26 153.39 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.53 -175.8 44.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.125 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.492 ' CB ' ' OE1' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -141.77 145.12 34.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.756 . . . . 0.0 109.998 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.41 120.34 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.7 -157.04 24.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.098 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.74 19.5 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.808 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.65 170.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.7 ttt -57.27 116.92 15.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.51 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.1 Cg_endo -75.04 169.85 21.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.86 136.48 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.57 145.93 7.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 126.45 9.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.519 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.4 m -80.74 -170.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.6 tp -138.62 89.85 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.8 p -60.63 -60.18 4.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.55 129.17 40.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.629 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -104.49 116.41 32.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.51 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.18 -175.65 37.67 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.568 HG21 ' HA ' ' A' ' 103' ' ' ASP . 19.6 mt -86.31 -43.86 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 p -121.87 23.32 10.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.427 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.51 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 66.4 p-90 -156.13 153.92 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 108.026 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 HD13 ' A' ' 71' ' ' LEU . 58.0 mt -139.1 122.08 16.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.03 101.99 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.004 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.843 HD12 HD21 ' A' ' 44' ' ' LEU . 65.2 mt -97.61 160.97 13.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -144.23 114.13 7.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.739 ' CG ' HG21 ' A' ' 81' ' ' VAL . 41.9 p90 -118.54 159.72 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 107.96 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.2 175.61 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -109.49 170.87 4.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.547 ' HG2' HG22 ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.05 149.0 35.86 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.32 -81.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.02 99.11 2.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.547 HG22 ' HG2' ' A' ' 31' ' ' PRO . 1.3 p -79.38 157.23 75.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.753 . . . . 0.0 110.381 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.469 ' HD2' HD11 ' A' ' 40' ' ' ILE . 18.4 Cg_endo -75.01 152.88 41.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 m -52.16 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -174.64 -56.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER 60.8 134.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.67 19.33 8.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.469 HD11 ' HD2' ' A' ' 35' ' ' PRO . 20.7 mt -53.48 151.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.0 p -126.7 168.49 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -140.67 120.94 13.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.547 HG23 ' O ' ' A' ' 59' ' ' TYR . 88.3 mt -97.38 111.41 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.843 HD21 HD12 ' A' ' 26' ' ' LEU . 18.8 tp -68.89 109.96 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' OE1' ' CD1' ' A' ' 82' ' ' ILE . 4.0 mt-10 -94.54 164.06 13.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.86 133.28 4.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.512 ' HB2' ' CG ' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -119.29 114.68 22.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 173.59 96.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 178.16 170.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.405 ' O ' ' CG2' ' A' ' 50' ' ' THR . 0.5 OUTLIER -38.8 119.09 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 50' ' ' THR . 0.5 OUTLIER 78.89 -54.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.84 -60.85 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 39.74 86.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 42.84 -166.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.593 ' CG ' ' CE ' ' A' ' 80' ' ' LYS . 11.6 m-85 -91.86 165.12 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 11.1 mmmt -133.33 147.91 66.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.3 Cg_endo -74.99 153.43 41.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.67 -59.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.56 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 46.7 t80 -105.69 151.95 23.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.6 85.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.2 172.13 28.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.1 47.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -119.52 145.85 45.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.422 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 29.6 mt -93.36 35.82 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -178.0 134.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 47.6 t80 -145.58 155.83 43.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 m -113.35 94.48 4.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 17.4 t -60.38 132.8 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.93 167.19 12.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.943 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.6 m-20 65.07 84.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.943 HD23 ' O ' ' A' ' 70' ' ' ASN . 21.6 mt -142.82 -176.74 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -116.68 151.74 35.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -77.35 151.86 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.78 70.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.8 m -150.21 165.07 34.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.11 149.38 42.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -148.87 153.82 38.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -109.0 128.29 54.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -125.7 161.0 28.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.593 ' CE ' ' CG ' ' A' ' 55' ' ' PHE . 3.2 ptpt -156.99 135.54 11.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.739 HG21 ' CG ' ' A' ' 28' ' ' TRP . 2.2 p -92.63 113.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.555 HD11 ' HD2' ' A' ' 80' ' ' LYS . 5.4 mt -104.74 123.06 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -100.58 114.76 28.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.484 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -123.25 161.96 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.416 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 48.5 t30 -123.43 149.6 44.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.36 -24.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 110.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.492 ' OE1' ' CB ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -76.76 -47.33 22.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -165.44 -166.68 24.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.12 179.14 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.29 -168.0 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -76.95 145.53 74.14 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -75.0 158.12 42.4 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.6 p -81.29 168.59 18.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.441 ' O ' HG13 ' A' ' 96' ' ' VAL . 0.3 OUTLIER -56.6 117.04 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.5 t -57.38 116.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 94' ' ' GLU . 35.5 m -100.58 164.0 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -129.92 139.09 51.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 16.2 m-85 -145.24 161.45 39.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -128.0 152.12 48.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.3 p -88.54 -176.19 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -101.72 166.44 12.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.06 11.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.568 ' HA ' HG21 ' A' ' 21' ' ' ILE . 17.3 p-10 -58.73 163.92 3.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.1 t -93.35 91.53 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 71.68 164.37 6.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 127.62 10.78 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 m -130.09 123.23 29.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.51 110.9 22.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t 66.25 136.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.02 164.44 11.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.96 -82.64 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.32 92.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.5 101.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.53 -104.9 2.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.14 22.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.47 170.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.97 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.422 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 11.9 ttt -65.7 125.11 89.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -74.95 -171.3 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.8 137.48 42.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.61 146.1 0.77 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.983 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.4 9.93 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 27' ' ' GLN . 1.6 m -82.29 -176.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.7 tp -139.61 99.74 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.0 p -65.55 -54.77 23.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.01 142.94 47.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.701 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -112.04 114.29 27.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.86 166.75 25.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.7 mt -68.54 -46.21 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 p -121.31 15.38 11.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 62.6 p-90 -145.33 153.54 41.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD12 HD13 ' A' ' 71' ' ' LEU . 77.0 mt -141.59 116.5 9.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.51 106.28 18.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.468 HD12 HD21 ' A' ' 44' ' ' LEU . 19.2 mt -99.83 169.24 9.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.616 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -154.54 117.18 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.524 ' CG ' HG21 ' A' ' 81' ' ' VAL . 37.4 p90 -126.57 160.1 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 107.986 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.65 176.17 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 160.82 80.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 64.18 5.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' THR . 2.4 m 48.29 -175.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -39.94 95.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.537 HG21 ' CD1' ' A' ' 40' ' ' ILE . 1.8 p -66.07 157.35 81.15 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.19 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 8.2 t -76.37 -53.5 8.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 36' ' ' SER . 6.9 t70 79.12 74.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -146.7 -168.93 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.71 73.36 2.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.092 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.537 ' CD1' HG21 ' A' ' 34' ' ' THR . 39.1 mt -69.73 139.05 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.3 m -106.07 167.2 9.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.025 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 5.2 m-85 -143.63 127.1 16.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 59' ' ' TYR . 12.6 mt -98.43 117.35 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.468 HD21 HD12 ' A' ' 26' ' ' LEU . 22.7 tp -81.4 112.86 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -97.4 163.6 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.237 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.54 128.7 5.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HB2' ' CD2' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -117.37 116.3 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HG3' ' CD1' ' A' ' 77' ' ' TYR . 9.1 tm-20 -177.89 115.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 173.37 174.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.327 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 67.2 p -44.76 -59.17 2.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.62 -60.25 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.7 -74.86 2.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 38.96 90.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.85 158.15 21.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.55 ' CD1' ' HE2' ' A' ' 80' ' ' LYS . 4.7 m-85 -82.91 165.91 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 6.3 mmtp -133.4 148.58 69.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -75.03 147.67 34.14 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -125.36 -50.98 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.536 ' O ' HG23 ' A' ' 43' ' ' ILE . 42.5 t80 -115.64 158.32 22.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -158.54 83.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.19 171.05 30.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 36.29 1.54 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.5 152.79 23.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.73 30.4 4.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -168.47 137.95 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 71.0 t80 -148.44 159.06 44.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.7 m -118.57 93.63 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.681 HG12 HD21 ' A' ' 71' ' ' LEU . 69.4 t -61.56 108.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -99.51 -176.25 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.764 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.2 m120 53.91 78.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 70' ' ' ASN . 22.1 mt -138.0 -177.35 4.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -119.82 161.27 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 150.09 24.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.95 70.6 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.157 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 76' ' ' LYS . 85.4 m -150.29 171.69 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.472 ' N ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -120.65 146.88 45.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.414 ' CD1' ' HG3' ' A' ' 48' ' ' GLU . 23.7 m-85 -150.2 142.3 24.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.509 ' CD ' HG11 ' A' ' 95' ' ' VAL . 5.5 ttmt -95.23 150.64 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -151.6 138.65 19.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HE2' ' CD1' ' A' ' 55' ' ' PHE . 2.0 pttt -140.09 133.0 29.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.524 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -90.57 114.18 27.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 8.4 mt -106.48 117.79 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.624 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -93.36 117.21 29.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.17 163.07 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.41 152.18 41.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.3 m -50.12 -22.07 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.43 -45.41 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.7 -166.31 25.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.94 178.08 4.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.19 -167.06 1.93 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -80.32 145.58 60.18 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.0 156.97 43.02 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.422 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 17.8 m -88.23 175.91 7.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -55.85 127.85 32.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.509 HG11 ' CD ' ' A' ' 78' ' ' LYS . 71.6 t -71.82 116.38 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.3 m -103.71 177.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -143.48 154.62 43.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.589 ' CD1' HD22 ' A' ' 16' ' ' LEU . 23.6 m-85 -149.3 156.07 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 m -123.97 163.94 20.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 20' ' ' GLY . 43.0 p -111.36 175.1 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.86 168.65 17.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 108.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.04 41.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -140.96 160.06 40.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.38 -56.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.45 102.4 0.22 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.5 17.91 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.4 m -69.37 162.98 26.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.6 88.45 2.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 t -162.57 105.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.62 149.73 26.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.79 136.93 13.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -162.18 137.79 7.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.99 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.26 128.36 35.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.043 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.06 -135.5 8.35 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 136.63 20.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.66 168.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 93' ' ' SER . 8.1 ttt -56.4 127.08 71.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.529 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.94 -179.03 4.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.19 138.58 32.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.66 144.99 2.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 127.98 11.11 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 27' ' ' GLN . 1.9 m -85.41 -176.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.721 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.7 tp -141.27 103.86 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.491 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 41.1 p -73.24 -51.79 16.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.31 134.17 35.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.721 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -111.43 117.44 33.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.515 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -93.97 -176.14 39.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.103 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 103' ' ' ASP . 21.5 mt -83.5 -41.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 p -124.88 21.26 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.515 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 65.6 p-90 -153.97 154.24 33.42 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD12 HD13 ' A' ' 71' ' ' LEU . 37.7 mt -143.27 123.85 14.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.48 101.48 12.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 11.2 mt -96.57 158.29 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.674 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.6 tt0 -138.68 121.38 16.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -132.22 158.98 40.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.025 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.43 159.66 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.495 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -55.67 166.34 1.03 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 141.85 27.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.56 -49.27 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.025 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.97 66.27 2.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.413 ' OG1' ' HD2' ' A' ' 35' ' ' PRO . 0.5 OUTLIER -138.42 164.82 37.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 110.424 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD2' ' OG1' ' A' ' 34' ' ' THR . 18.5 Cg_endo -74.96 118.09 5.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.8 p -39.63 109.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.946 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -131.7 -47.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 37' ' ' ASP . 24.3 tt0 60.44 128.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' ILE . . . 106.08 -17.03 41.84 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' GLY . 8.5 mt -39.83 147.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -103.35 176.41 5.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.495 ' OH ' ' CB ' ' A' ' 30' ' ' LYS . 21.3 m-85 -149.88 135.52 18.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.461 HD11 ' CD2' ' A' ' 84' ' ' TYR . 15.2 mt -102.43 116.35 45.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.2 tp -87.5 108.67 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.26 160.15 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.552 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 19.6 ttp -153.86 124.34 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.545 ' HB2' ' CD2' ' A' ' 55' ' ' PHE . 2.5 tm-20 -120.47 116.21 24.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -173.94 101.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.58 -45.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.1 p -139.05 -60.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.24 172.03 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.88 122.46 9.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -156.6 -62.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.0 132.51 2.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.545 ' CD2' ' HB2' ' A' ' 47' ' ' GLU . 4.3 m-85 -79.97 164.07 23.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.773 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 6.6 mmmt -132.73 145.91 59.14 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.2 Cg_endo -74.99 148.39 35.27 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 -48.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.527 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 69.4 t80 -114.61 157.4 23.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -164.23 78.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.99 178.15 26.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -99.28 51.64 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -121.09 154.49 36.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 mt -105.27 25.66 10.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.085 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.68 140.41 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.527 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 88.3 t80 -147.82 157.99 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.8 m -113.33 94.53 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.784 HG12 HD21 ' A' ' 71' ' ' LEU . 75.6 t -64.66 97.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -86.57 175.39 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.941 ' O ' HD23 ' A' ' 71' ' ' LEU . 20.7 t30 60.7 83.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.941 HD23 ' O ' ' A' ' 70' ' ' ASN . 20.4 mt -142.75 -178.17 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -117.86 140.83 49.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 136.64 58.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.86 76.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.5 m -148.54 138.98 22.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.12 150.16 33.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.545 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 2.7 m-85 -155.5 133.69 11.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -95.77 136.73 35.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.552 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 67.5 m-85 -139.51 143.93 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.521 ' HE2' ' CD1' ' A' ' 55' ' ' PHE . 0.9 OUTLIER -141.56 132.16 25.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.529 HG13 ' HG2' ' A' ' 11' ' ' PRO . 1.1 p -89.41 132.3 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.438 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 9.2 mt -124.22 116.79 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -91.06 123.4 34.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -131.64 162.12 31.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.8 OUTLIER -123.71 150.82 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.74 -26.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 85' ' ' ASN . 62.1 mt-10 -73.85 -47.63 36.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -167.95 -156.42 10.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 156.67 45.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.59 -164.1 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -80.24 154.03 74.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.4 Cg_endo -74.97 164.76 32.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.769 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.452 ' HA ' ' CE ' ' A' ' 10' ' ' MET . 8.6 t -97.71 179.33 4.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.3 124.15 17.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 80' ' ' LYS . 90.2 t -72.55 118.23 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 32.5 m -102.17 179.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -146.89 141.39 26.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 11.0 m-85 -141.4 154.03 45.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -117.71 148.23 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.4 p -83.52 176.36 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.86 167.52 15.11 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 108.324 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 131.72 14.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.436 ' HA ' HD13 ' A' ' 21' ' ' ILE . 12.7 p-10 -61.12 109.28 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.0 p -111.61 143.76 41.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 177.05 157.74 18.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 64.95 6.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.7 t -73.66 142.84 46.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.17 -57.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.57 168.13 15.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -166.14 -55.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.58 139.72 5.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.69 145.61 43.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -135.28 98.18 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.72 -128.68 2.47 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.65 13.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.64 179.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.9 ttt -63.54 116.71 28.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 18.3 Cg_endo -75.03 168.56 24.54 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.43 142.53 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.509 ' HB2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -51.0 145.53 11.97 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.024 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.75 12.64 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.553 HG22 ' CB ' ' A' ' 27' ' ' GLN . 2.3 m -84.57 -174.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.408 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 2.9 tp -139.13 92.0 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 27' ' ' GLN . 32.4 p -66.28 -59.06 4.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.82 137.63 52.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.8 119.52 39.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.52 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -96.98 169.12 25.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.711 HD13 ' OD1' ' A' ' 103' ' ' ASP . 74.1 mt -73.49 -45.52 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 p -121.79 24.17 9.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.9 p-90 -157.47 158.81 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.621 HD21 HG22 ' A' ' 100' ' ' THR . 52.5 mt -140.92 128.5 21.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -104.92 100.14 9.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.707 HD12 HD21 ' A' ' 44' ' ' LEU . 29.9 mt -94.68 168.17 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -148.57 116.99 6.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.527 ' CG ' HG21 ' A' ' 81' ' ' VAL . 41.9 p90 -123.45 166.29 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.08 164.71 24.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' CB ' ' OH ' ' A' ' 42' ' ' TYR . 1.4 pttt -88.43 161.07 43.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HG2' HG22 ' A' ' 34' ' ' THR . 18.4 Cg_endo -75.03 176.64 9.66 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 t -83.45 143.31 30.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 39.1 79.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.59 ' HB ' HD11 ' A' ' 40' ' ' ILE . 1.3 p -79.07 152.21 76.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 110.411 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -46.82 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 t -43.8 166.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 38' ' ' GLU . 12.3 t0 -96.82 67.83 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER 60.26 126.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.337 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.05 105.96 2.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.59 HD11 ' HB ' ' A' ' 34' ' ' THR . 30.1 mt -129.27 143.1 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.5 p -110.02 150.78 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.495 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 3.9 m-85 -136.39 134.05 37.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.5 mt -96.35 120.2 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.707 HD21 HD12 ' A' ' 26' ' ' LEU . 38.5 tp -90.11 108.25 19.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -96.68 162.46 13.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 79' ' ' PHE . 18.4 ttp -155.51 132.82 10.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HB2' ' CG ' ' A' ' 55' ' ' PHE . 2.9 tt0 -117.81 134.77 54.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.247 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -77.24 -169.54 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' THR . 1.1 tt0 -118.18 -58.76 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' GLU . 75.1 p -38.38 -67.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.4 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 p -101.07 -67.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.14 -68.49 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 51.88 25.61 3.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 0.794 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.68 175.83 51.08 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.422 1.076 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.5 ' CD1' ' HE3' ' A' ' 80' ' ' LYS . 12.6 m-85 -83.43 144.73 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.734 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -128.77 149.09 71.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.64 19.34 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.48 -42.1 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 53.5 t80 -113.04 164.07 13.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -174.63 84.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.2 -178.12 23.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.08 39.04 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.55 151.58 37.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 42.2 mt -93.11 27.19 2.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.64 156.36 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 25.0 t80 -157.04 158.83 37.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.4 m -115.8 94.75 4.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.63 146.5 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.35 169.26 17.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.574 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.5 m-20 62.93 72.71 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 70' ' ' ASN . 28.8 mt -133.7 -168.24 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -130.92 148.11 52.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 149.63 47.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.69 71.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 36.1 m -150.3 144.86 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.18 150.29 20.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -153.95 146.25 23.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.431 ' HB3' ' CG1' ' A' ' 95' ' ' VAL . 33.0 mtpt -100.69 131.85 46.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 46' ' ' MET . 26.9 m-85 -123.64 155.04 38.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.5 ' HE3' ' CD1' ' A' ' 55' ' ' PHE . 2.0 pttp -152.69 129.39 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.9 p -87.05 123.67 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.426 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 12.3 mt -114.77 112.67 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.434 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -90.39 130.26 36.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.509 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -139.79 160.51 39.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 1.0 OUTLIER -123.78 152.03 42.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -44.96 -26.09 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 85' ' ' ASN . 1.3 mt-10 -77.15 -47.0 21.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.17 175.09 46.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' CB ' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -105.53 163.53 12.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 0.753 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.44 -165.08 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -77.64 152.65 80.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.3 Cg_endo -74.95 163.08 36.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 t -93.61 -176.56 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.38 129.97 43.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 78' ' ' LYS . 83.2 t -73.83 118.48 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 13' ' ' SER . 24.7 m -101.02 169.2 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.555 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.8 tt0 -131.68 152.43 50.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.555 ' CD1' ' O ' ' A' ' 97' ' ' GLU . 19.7 m-85 -151.69 176.77 11.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 m -138.74 149.5 45.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.621 HG22 HD21 ' A' ' 24' ' ' LEU . 43.3 p -96.99 162.97 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.421 ' HB2' ' CG1' ' A' ' 21' ' ' ILE . 1.4 m -53.03 164.55 0.7 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.288 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -45.07 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.711 ' OD1' HD13 ' A' ' 21' ' ' ILE . 13.5 t0 74.64 -58.72 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.44 161.48 13.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 177.97 -174.24 46.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -43.71 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.6 p -62.43 124.95 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m 62.6 121.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -157.5 91.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.976 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.77 -58.86 1.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.01 -145.86 8.11 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -77.36 96.38 4.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 0.724 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 p -108.79 -60.17 1.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.13 -136.69 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 138.87 23.68 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.553 1.817 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.19 174.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.1 ttt -69.09 122.45 85.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.486 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.6 Cg_endo -74.93 173.17 14.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.99 138.3 31.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.25 145.51 1.83 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 125.73 9.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.798 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 27' ' ' GLN . 2.5 m -81.83 -178.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.68 HD21 ' HB2' ' A' ' 19' ' ' ALA . 4.1 tp -134.07 88.49 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.0 p -58.96 -59.15 5.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.429 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.1 133.51 44.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.68 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -105.8 118.1 35.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' HA3' ' CD2' ' A' ' 23' ' ' TRP . . . -95.67 176.32 33.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.612 HG21 ' HB2' ' A' ' 103' ' ' ASP . 18.2 mt -78.05 -43.0 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 0.744 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.5 p -125.12 22.0 7.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' CD2' ' HA3' ' A' ' 20' ' ' GLY . 65.4 p-90 -153.91 155.9 36.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD21 HG22 ' A' ' 100' ' ' THR . 58.3 mt -142.63 117.95 10.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.99 100.69 13.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.531 HD12 HD21 ' A' ' 44' ' ' LEU . 56.9 mt -94.59 161.82 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.487 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -143.74 112.57 6.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.539 ' CG ' HG21 ' A' ' 81' ' ' VAL . 40.6 p90 -114.58 160.59 19.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 107.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 m -119.94 171.75 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -69.75 161.65 73.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 163.6 34.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.23 126.98 29.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.044 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 42.03 90.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 p -66.05 157.5 80.42 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.67 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.551 1.816 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.12 155.18 28.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.933 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.94 48.98 1.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -95.71 37.5 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.32 108.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.4 mt -103.07 140.07 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -118.31 156.99 27.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.49 ' CE1' ' CD2' ' A' ' 64' ' ' LEU . 7.7 m-85 -133.59 129.56 37.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.7 mt -97.77 122.66 49.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.531 HD21 HD12 ' A' ' 26' ' ' LEU . 23.3 tp -90.02 108.06 19.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -94.2 160.47 14.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.5 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 29.0 ttp -161.78 121.42 2.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.54 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 2.7 tm-20 -126.52 118.93 25.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -92.73 -177.28 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 72.52 -175.72 0.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.4 p -62.05 142.27 57.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 47.07 -173.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.85 -109.13 3.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 49.66 99.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.93 3.94 8.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 47' ' ' GLU . 10.2 m-85 -40.67 108.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 15.6 mmtt -91.38 147.89 36.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.1 Cg_endo -75.02 148.93 35.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -46.27 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.583 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 45.5 t80 -115.02 155.94 26.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.53 80.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.47 171.83 25.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.48 44.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.93 151.61 37.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.49 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 18.8 mt -98.06 31.28 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.51 145.13 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 70.4 t80 -154.43 159.08 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 m -118.21 104.29 10.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.32 149.33 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -143.62 165.53 27.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 69.68 60.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 mt -121.44 -176.24 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mtt85 -122.44 149.16 44.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 137.11 54.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.01 79.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -149.75 132.71 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 127.14 32.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.5 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 7.5 m-85 -136.21 149.9 48.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' CD ' HG11 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -111.78 151.17 29.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 46' ' ' MET . 97.0 m-85 -150.31 137.99 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HB3' HG22 ' A' ' 95' ' ' VAL . 1.2 ptpt -140.24 127.91 21.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 ' CG ' ' A' ' 28' ' ' TRP . 1.1 p -82.58 132.72 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.46 ' CG1' ' HB3' ' A' ' 92' ' ' PRO . 4.6 mt -124.17 114.61 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . . . -92.68 115.23 27.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -122.95 161.09 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.403 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER -123.7 151.63 42.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.79 -25.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -78.06 -47.12 19.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.56 174.54 45.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -104.12 157.5 17.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.81 -168.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.952 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -74.07 150.37 87.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.46 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -75.0 159.17 41.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 t -90.49 159.88 16.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -40.92 135.93 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.426 HG11 ' CD ' ' A' ' 78' ' ' LYS . 65.2 t -79.42 124.4 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.3 m -107.99 169.31 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.41 145.87 50.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -145.08 174.13 11.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 100' ' ' THR . 4.3 m -139.22 166.53 24.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.443 HG22 HD21 ' A' ' 24' ' ' LEU . 58.2 p -115.64 167.14 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.396 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.94 166.77 1.26 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.279 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -42.24 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.444 1.76 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.612 ' HB2' HG21 ' A' ' 21' ' ' ILE . 0.0 OUTLIER 62.01 155.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 m 60.68 85.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.956 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -177.23 126.16 1.08 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.68 15.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.5 m 46.87 83.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 t 67.4 133.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.956 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 m -60.53 141.18 56.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 63.7 153.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.69 163.98 11.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -62.67 88.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.8 p -71.65 89.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.76 152.66 5.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 154.24 42.59 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.565 1.824 . . . . 0.0 111.041 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.94 -179.58 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.054 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.3 ttt -66.48 122.37 81.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.56 ' HG2' HG13 ' A' ' 81' ' ' VAL . 18.1 Cg_endo -75.01 172.17 16.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.17 136.52 33.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.02 143.64 4.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.607 ' O ' HG21 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.97 130.09 12.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.497 HG22 ' CB ' ' A' ' 27' ' ' GLN . 1.8 m -89.5 -174.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.826 HD21 ' HB2' ' A' ' 19' ' ' ALA . 5.2 tp -133.89 88.46 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.455 HG23 ' HB2' ' A' ' 27' ' ' GLN . 43.8 p -55.98 -60.44 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.01 129.51 34.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.826 ' HB2' HD21 ' A' ' 16' ' ' LEU . . . -104.64 117.6 34.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.519 ' HA3' ' CE2' ' A' ' 23' ' ' TRP . . . -95.95 -169.99 35.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.142 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 101' ' ' CYS . 11.5 mt -89.47 -43.21 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.8 p -123.08 30.44 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.519 ' CE2' ' HA3' ' A' ' 20' ' ' GLY . 67.6 p-90 -164.77 154.96 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.962 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.508 HD12 HD13 ' A' ' 71' ' ' LEU . 48.6 mt -141.39 115.33 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.68 99.96 12.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.995 HD12 HD21 ' A' ' 44' ' ' LEU . 23.1 mt -93.78 161.57 14.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.497 ' CB ' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -144.92 117.89 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.691 ' CG ' HG21 ' A' ' 81' ' ' VAL . 41.1 p90 -124.46 159.57 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -125.37 166.19 17.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 163.18 18.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 152.57 40.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 p -59.77 134.09 56.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.95 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 44.29 85.75 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.431 ' OG1' ' HD2' ' A' ' 35' ' ' PRO . 0.5 OUTLIER -122.09 164.14 27.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 0.0 110.442 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.431 ' HD2' ' OG1' ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.0 -75.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.6 t -69.24 111.86 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -63.9 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.7 115.79 25.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.09 -19.59 1.09 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.35 150.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.9 m -119.92 151.0 39.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 3.3 m-85 -134.88 133.68 39.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.8 mt -99.62 121.34 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.995 HD21 HD12 ' A' ' 26' ' ' LEU . 28.1 tp -88.37 102.42 14.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.68 ' OE1' HD12 ' A' ' 82' ' ' ILE . 37.4 mp0 -95.46 160.19 14.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.558 ' HB2' ' CD1' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -162.93 133.63 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.582 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -144.0 156.34 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.42 146.82 37.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 72.0 171.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.8 p 46.15 -167.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.35 -65.87 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.91 63.1 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -104.77 -1.4 26.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' PHE . . . -126.23 7.08 7.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.582 ' CD1' ' HB2' ' A' ' 47' ' ' GLU . 1.7 m-85 -37.08 115.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -96.85 149.12 35.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 18.1 Cg_endo -75.04 156.56 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.569 1.826 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.46 -52.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 66' ' ' TYR . 66.2 t80 -110.18 148.22 32.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -150.42 79.69 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.44 170.7 26.05 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -97.6 41.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -114.25 150.77 33.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' CD2' ' CE1' ' A' ' 42' ' ' TYR . 23.4 mt -97.37 26.66 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -167.22 143.16 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.662 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 74.1 t80 -151.59 157.98 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -115.97 99.25 7.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 23' ' ' TRP . 49.1 t -62.35 143.44 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.26 170.95 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.503 ' O ' HD23 ' A' ' 71' ' ' LEU . 3.9 m-80 60.11 72.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.508 HD13 HD12 ' A' ' 24' ' ' LEU . 39.9 mt -131.23 -169.01 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.29 144.37 50.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.65 149.45 50.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.68 78.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.5 m -148.03 166.1 28.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.42 116.35 24.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -125.41 147.2 49.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.594 ' HD2' HG11 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -94.88 166.68 11.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 46' ' ' MET . 79.9 m-85 -162.93 149.91 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.544 ' CE ' ' CD2' ' A' ' 55' ' ' PHE . 6.8 pttt -153.92 131.98 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.691 HG21 ' CG ' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -90.42 131.41 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.68 HD12 ' OE1' ' A' ' 45' ' ' GLU . 5.8 mt -123.35 120.51 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.497 ' HB2' ' HG3' ' A' ' 11' ' ' PRO . . . -92.68 114.67 27.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.508 ' CD1' ' C ' ' A' ' 84' ' ' TYR . 0.2 OUTLIER -123.08 160.68 25.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 88' ' ' GLY . 59.0 m-20 -123.85 152.68 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.5 -27.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 85' ' ' ASN . 47.8 mt-10 -72.57 -47.18 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 85' ' ' ASN . . . -171.81 -155.71 11.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -128.35 155.15 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.08 -164.33 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -76.0 149.95 83.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.471 ' HB3' ' CG1' ' A' ' 82' ' ' ILE . 18.2 Cg_endo -74.96 162.98 36.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -95.67 175.96 6.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.05 133.29 43.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.594 HG11 ' HD2' ' A' ' 78' ' ' LYS . 99.0 t -80.13 125.25 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 14' ' ' PRO . 35.5 m -109.25 164.02 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -130.38 146.12 51.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 16' ' ' LEU . 19.1 m-85 -148.38 168.72 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 100' ' ' THR . 4.2 m -131.82 166.61 21.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.385 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.49 HG22 HD21 ' A' ' 24' ' ' LEU . 12.6 p -111.56 175.95 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -94.3 166.77 14.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 143.38 29.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -88.07 102.03 14.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.4 p -173.88 133.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 81.7 89.71 0.61 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 136.93 20.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.1 m 61.23 170.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.05 136.19 8.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.571 1.17 . . . . 0.0 110.983 -180.0 . . . . . . . . 0 0 . 1 stop_ save_