data_1wf8_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 1wf8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.1 mt -93.78 110.91 22.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.2 p90 -131.0 135.84 27.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 134.93 18.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' PHE . 49.5 t -127.19 119.57 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.22 135.76 35.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -136.75 133.99 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -101.43 117.57 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 88' ' ' THR . 63.7 mttt -53.32 152.08 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 21' ' ' GLY . 5.7 m-20 -129.51 177.12 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 20' ' ' ASP . 0.9 OUTLIER -38.95 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.7 t70 -120.8 51.08 1.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 54.33 -136.07 43.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.31 -53.52 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.66 48.49 2.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.485 HG22 ' CB ' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -137.77 155.28 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.31 149.17 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.034 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pt -124.75 161.61 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -135.97 141.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.9 115.22 4.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.457 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 1.2 mmt -129.85 153.64 48.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.92 103.97 2.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -121.94 97.04 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' CD1' ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -54.0 130.48 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -112.7 119.3 4.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.3 mm -84.56 106.97 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 96.7 m-85 -107.71 163.08 13.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.8 t -88.01 108.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' N ' HG22 ' A' ' 27' ' ' ILE . 9.3 tptm -61.3 -44.82 96.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.485 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 5.1 t -169.04 177.48 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.4 ' N ' ' OG1' ' A' ' 46' ' ' THR . 98.6 t -130.26 128.47 64.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -56.95 132.32 52.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.68 95.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.89 29.48 5.81 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.2 -179.17 41.37 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.35 -42.98 82.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.485 ' CB ' HG22 ' A' ' 24' ' ' ILE . . . -72.46 -33.44 67.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.78 -64.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -42.27 -45.96 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -52.75 -56.69 13.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.99 -31.2 8.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.509 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.45 -69.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.791 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.2 mt -66.37 127.43 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.34 174.45 6.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 55.1 t -74.45 150.27 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.3 m-80 76.66 0.94 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 9.2 m-20 -62.79 164.21 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -124.77 110.8 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 68' ' ' VAL . 8.0 mt -82.13 86.96 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.449 HG12 ' CG2' ' A' ' 74' ' ' VAL . 51.3 t -63.74 -39.85 86.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.5 tt0 -143.0 158.74 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.63 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -144.15 118.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 52.46 21.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.411 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.51 -26.62 17.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.411 ' CG2' HG22 ' A' ' 84' ' ' VAL . 41.6 mt -67.18 136.11 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.73 128.62 36.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.996 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.43 HD12 ' CG2' ' A' ' 65' ' ' ILE . 34.1 mt -112.86 36.95 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.449 ' CG2' HG12 ' A' ' 66' ' ' VAL . 91.4 t -106.25 138.59 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 55.15 39.78 71.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.493 HG22 ' CD1' ' A' ' 80' ' ' PHE . 12.4 m -130.52 143.5 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 78' ' ' GLN . 6.0 t -67.68 144.2 55.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 77' ' ' THR . 22.5 tt0 -37.7 -49.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -40.49 -57.67 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.493 ' CD1' HG22 ' A' ' 76' ' ' VAL . 50.4 t80 -49.88 -57.33 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.57 -45.58 73.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.93 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.5 m -61.74 -46.79 88.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 87' ' ' ASN . 34.2 t -58.04 -58.24 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.431 ' O ' ' OG1' ' A' ' 88' ' ' THR . 51.4 mt -52.13 -22.17 3.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -22.72 22.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' VAL . 4.5 m-80 -84.04 -32.45 24.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.457 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . 12.2 p -38.73 158.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.559 ' O ' ' C ' ' A' ' 90' ' ' GLY . 33.1 mtmt -128.75 -173.61 3.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -22.5 -84.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.19 134.69 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.576 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 17.8 t -132.05 138.36 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.14 106.01 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.63 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 97.7 m-85 -100.35 121.93 42.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.4 t -99.81 93.88 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.59 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.4 mm -79.82 156.48 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -122.73 105.86 0.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.58 149.04 24.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.3 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.8 mt -94.5 111.21 22.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.06 134.26 25.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.96 17.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' PHE . 37.4 t -125.97 122.14 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -86.34 137.39 32.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' VAL . 3.3 mt -139.85 135.92 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.9 mt-10 -105.9 105.92 16.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HD2' ' C ' ' A' ' 89' ' ' LYS . 41.7 mttt -39.12 158.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.0 OUTLIER -128.1 176.43 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' ASP . 8.6 t70 -119.57 51.21 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 57.93 -146.44 39.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -70.28 -56.37 6.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.54 43.93 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.498 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -136.45 154.69 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 0.764 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.3 m -111.55 146.85 36.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.6 pt -120.37 177.95 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -154.67 143.75 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.93 114.47 5.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' GLY . 1.7 mmm -132.11 160.73 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.79 114.73 5.04 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.4 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -127.5 96.89 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.8 tp -53.22 125.8 18.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -107.32 122.08 6.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.0 mm -83.64 115.09 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 91.9 m-85 -114.57 164.08 14.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.549 ' CG2' ' OD1' ' A' ' 63' ' ' ASP . 14.6 t -89.31 104.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 27' ' ' ILE . 14.6 tttt -56.1 -46.29 79.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.429 ' HG1' ' N ' ' A' ' 47' ' ' VAL . 2.2 t -170.25 171.78 6.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 110.348 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.429 ' N ' ' HG1' ' A' ' 46' ' ' THR . 76.5 t -123.29 121.89 63.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -51.26 142.71 12.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -69.94 103.01 2.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.79 14.97 47.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.93 177.17 31.85 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 22' ' ' LEU . . . -68.96 -37.57 78.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -78.28 -24.23 46.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.52 -61.74 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NH2' ' OD2' ' A' ' 18' ' ' ASP . 25.2 mtm105 -52.79 -39.08 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -47.98 -54.4 13.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.458 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 89.15 -5.73 84.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.48 -67.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.8 mt -67.93 129.01 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.463 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 10.4 mm-40 -115.51 177.82 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 61.6 t -83.17 146.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.2 m-80 77.46 10.4 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.549 ' OD1' ' CG2' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -71.06 175.51 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.415 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 15.9 tt0 -131.11 113.34 13.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.435 ' CG2' HG21 ' A' ' 68' ' ' VAL . 9.4 mt -84.13 87.27 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.452 HG11 ' CG2' ' A' ' 74' ' ' VAL . 47.8 t -65.43 -39.57 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 9.4 tt0 -144.2 157.68 44.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.6 HG23 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.07 118.47 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 52.31 21.87 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.32 -27.56 15.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 84' ' ' VAL . 70.3 mt -66.06 136.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 71' ' ' ILE . 7.1 t -91.54 115.16 27.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 38.0 mt -98.63 35.88 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.452 ' CG2' HG11 ' A' ' 66' ' ' VAL . 94.3 t -102.86 143.15 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.419 ' N ' HG11 ' A' ' 74' ' ' VAL . . . 48.23 45.8 27.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.473 ' CG2' ' CD2' ' A' ' 80' ' ' PHE . 5.8 m -132.31 148.37 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.804 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.474 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 t -68.72 142.5 54.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 77' ' ' THR . 23.3 tt0 -36.69 -48.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -44.4 -66.19 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CD2' ' CG2' ' A' ' 76' ' ' VAL . 70.1 t80 -36.1 -57.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.9 -48.14 76.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' ASN . . . -52.38 -43.43 64.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 42.8 m -64.59 -52.01 59.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 71' ' ' ILE . 91.5 t -51.75 -55.53 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.8 mt -53.56 -28.25 30.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -84.87 -21.69 29.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 88' ' ' THR . 5.8 m-80 -78.69 -48.15 15.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.478 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 15.9 p -39.83 160.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.625 ' O ' ' C ' ' A' ' 90' ' ' GLY . 13.7 mtmt -129.8 -174.9 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.625 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -15.09 -82.42 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -76.16 136.37 39.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.654 ' CG1' ' CZ ' ' A' ' 94' ' ' PHE . 61.3 t -140.65 129.5 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 104.6 15.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.654 ' CZ ' ' CG1' ' A' ' 92' ' ' VAL . 98.5 m-85 -101.14 121.21 41.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.5 t -99.34 92.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.9 mm -80.14 154.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.67 106.28 1.21 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 146.61 26.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 7.4 pt-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.57 111.04 23.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 5.3 p90 -126.43 135.4 27.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.85 14.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' PHE . 46.7 t -123.67 118.24 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.31 128.99 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -128.31 127.52 42.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -94.37 98.63 11.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 90' ' ' GLY . 2.5 mtpt -39.05 155.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -120.72 175.95 5.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -48.44 -22.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.71 -24.69 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 125.21 -135.45 9.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 13.9 mt -74.09 -53.18 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.07 53.15 3.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.468 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -149.69 163.55 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.6 m -116.35 148.55 40.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 pt -126.25 159.34 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -138.13 141.25 38.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.65 117.32 5.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.452 ' N ' HD11 ' A' ' 40' ' ' LEU . 1.3 mmm -133.83 155.37 49.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.02 107.23 3.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 41' ' ' GLY . 1.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -126.71 96.88 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -50.57 129.85 23.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -112.09 130.08 9.42 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.474 HG22 ' CB ' ' A' ' 81' ' ' ALA . 15.7 mm -93.26 96.86 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' ILE . 89.7 m-85 -98.67 163.77 12.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.7 t -92.8 114.41 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -67.77 -39.51 84.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.47 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 2.6 t -170.45 173.02 5.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.404 ' N ' ' HG1' ' A' ' 46' ' ' THR . 78.4 t -124.11 124.23 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -50.79 149.65 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -79.07 108.79 12.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.06 8.82 68.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.87 -172.72 6.65 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 22' ' ' LEU . . . -73.43 -59.33 2.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -56.4 -28.27 58.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.34 -63.37 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -48.28 -41.09 27.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -56.71 -56.95 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.53 -29.02 10.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.51 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.4 -70.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.3 mt -67.35 133.4 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -129.64 149.06 51.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 96.2 t -40.43 149.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 8.0 m-80 76.51 1.04 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.502 ' OD1' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -63.44 144.03 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 27.0 tt0 -110.4 108.67 18.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.482 ' CG2' HG22 ' A' ' 68' ' ' VAL . 22.9 mt -80.54 85.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.478 HG13 ' CG2' ' A' ' 74' ' ' VAL . 59.2 t -63.19 -38.62 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.3 tt0 -143.5 157.29 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.604 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.72 118.76 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 51.97 20.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.408 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.92 -27.84 12.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.45 ' CD1' HG11 ' A' ' 84' ' ' VAL . 63.7 mt -66.37 136.09 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.401 ' N ' HG21 ' A' ' 71' ' ' ILE . 7.5 t -91.84 129.07 37.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.0 mt -112.91 39.9 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.478 ' CG2' HG13 ' A' ' 66' ' ' VAL . 99.4 t -111.05 138.0 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.24 38.87 88.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 10.5 m -132.83 146.98 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' GLN . 6.0 t -67.77 140.43 56.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' THR . 2.1 tt0 -37.5 -46.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -43.55 -54.71 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -50.14 -57.11 8.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.474 ' CB ' HG22 ' A' ' 42' ' ' ILE . . . -54.33 -49.38 69.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.17 56.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.3 m -62.66 -51.52 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.448 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.45 HG11 ' CD1' ' A' ' 71' ' ' ILE . 72.7 t -52.77 -55.04 13.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.6 mt -53.98 -25.54 21.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -87.59 -19.96 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -80.72 -38.55 28.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.506 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 80.3 p -42.18 164.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.554 ' O ' ' C ' ' A' ' 90' ' ' GLY . 3.0 mtmp? -132.81 -168.32 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -23.58 -82.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.58 135.83 34.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 0.728 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.506 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 18.9 t -135.91 139.92 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 107.79 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 97.8 m-85 -102.07 122.48 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.4 t -99.27 94.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.562 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.9 mm -79.52 153.22 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -124.57 105.1 0.84 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.31 156.8 24.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.98 110.48 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 25.1 p90 -131.22 136.82 29.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.497 ' CG2' ' HG3' ' A' ' 58' ' ' ARG . 42.4 t -116.0 118.11 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.87 139.41 34.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD11 ' CD1' ' A' ' 59' ' ' ILE . 6.5 mt -141.99 143.2 33.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.76 108.27 17.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 26.9 mttt -40.06 156.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.504 ' OD1' ' CB ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -123.44 176.73 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -50.3 -20.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -106.2 -22.86 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 125.18 -139.76 11.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.8 mt -69.31 -54.93 12.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.96 47.04 5.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.591 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 10.2 pt -138.54 152.28 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 0.8 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.15 143.6 42.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.443 HG22 ' CD1' ' A' ' 85' ' ' LEU . 1.7 pt -120.31 175.73 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.42 HG12 ' CG ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -153.13 137.63 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.78 112.19 4.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.42 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.9 mmm -133.29 160.83 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.1 111.69 3.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.6 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.74 97.01 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 6.1 tp -51.29 124.13 11.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -105.63 118.85 5.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.5 mm -83.54 101.74 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.412 ' CD2' ' O ' ' A' ' 41' ' ' GLY . 91.1 m-85 -100.22 162.22 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' ASP . 13.0 t -90.71 102.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -54.34 -44.23 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.485 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 4.2 t -170.83 177.84 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 110.401 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.419 ' N ' ' OG1' ' A' ' 46' ' ' THR . 74.8 t -125.91 129.5 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -58.0 134.01 56.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -70.75 106.07 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.55 29.07 10.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.72 -170.08 35.59 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.504 ' CB ' ' OD1' ' A' ' 18' ' ' ASP . . . -72.3 -52.92 14.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.591 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -61.76 -40.0 93.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -61.6 -68.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -43.22 -47.67 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -49.52 -56.59 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 91.35 8.93 63.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.497 ' HG3' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -91.07 -67.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 0.788 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.43 ' CD1' HD11 ' A' ' 15' ' ' LEU . 13.7 mt -68.79 118.81 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 22.2 mm-40 -104.84 174.83 5.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 55.1 t -76.81 150.94 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 7.9 m-80 75.75 1.46 3.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' HB3' ' CG2' ' A' ' 96' ' ' ILE . 19.3 m-20 -65.0 152.41 43.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -112.94 111.22 21.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.45 ' CG2' HG22 ' A' ' 68' ' ' VAL . 23.9 mt -78.66 91.3 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.6 t -68.6 -38.67 79.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 10.4 tt0 -145.77 156.82 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.614 HG21 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -141.95 116.75 5.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 53.35 20.39 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.413 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.75 -29.23 9.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.473 ' CD1' HG12 ' A' ' 84' ' ' VAL . 61.3 mt -66.13 137.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.413 ' N ' HG21 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -92.08 125.05 36.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 66.7 mt -108.55 39.96 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 75' ' ' GLY . 90.7 t -110.41 142.04 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.423 ' N ' HG13 ' A' ' 74' ' ' VAL . . . 50.36 46.16 44.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.404 ' CG2' ' CD1' ' A' ' 80' ' ' PHE . 4.4 m -135.17 151.54 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.481 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.0 t -68.59 140.46 55.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -39.12 -41.12 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.26 -58.43 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.404 ' CD1' ' CG2' ' A' ' 76' ' ' VAL . 51.9 t80 -42.76 -56.64 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.09 -48.8 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.18 -44.08 64.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.3 m -63.02 -52.96 60.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 71' ' ' ILE . 72.3 t -52.66 -54.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' CD1' HG22 ' A' ' 26' ' ' ILE . 38.2 mt -55.48 -23.65 27.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 mtp85 -89.92 -20.21 23.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' THR . 3.4 m-80 -79.16 -41.33 28.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.501 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 68.7 p -44.12 168.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.424 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.633 ' O ' ' C ' ' A' ' 90' ' ' GLY . 15.5 mtmt -138.66 -171.14 3.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.633 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -14.5 -84.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.27 139.41 35.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.509 ' CG1' ' CZ ' ' A' ' 94' ' ' PHE . 44.3 t -141.55 128.16 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -99.88 109.69 22.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.614 ' CD1' HG21 ' A' ' 68' ' ' VAL . 98.5 m-85 -104.08 120.37 40.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 3.2 t -96.51 95.5 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.8 mm -82.59 157.63 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.56 103.87 1.0 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.436 ' HD2' ' CE1' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -95.46 153.88 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.4 tt0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -92.9 111.53 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.2 p90 -133.2 134.71 24.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 135.93 19.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' PHE . 46.6 t -128.28 119.98 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.54 133.61 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD1' HD13 ' A' ' 59' ' ' ILE . 1.7 mt -134.29 134.86 42.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.48 122.77 44.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 57.3 mttt -60.99 150.96 31.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -125.34 175.44 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.29 -28.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.0 t70 -118.04 51.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 56.01 -142.94 37.81 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mt -71.14 -57.09 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.6 50.36 1.69 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.536 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -142.98 157.96 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 m -110.13 153.97 23.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 85' ' ' LEU . 2.1 pt -132.67 155.93 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -133.77 141.19 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.83 117.38 5.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.452 ' N ' HD11 ' A' ' 40' ' ' LEU . 1.1 mmm -133.71 155.26 50.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.26 104.0 2.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.42 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -126.91 96.9 4.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -47.66 131.57 14.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.42 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -115.35 121.26 5.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.4 mm -85.91 104.46 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.797 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 90.0 m-85 -104.77 163.84 12.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.7 t -88.09 110.04 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' N ' HG21 ' A' ' 27' ' ' ILE . 11.5 tptm -63.51 -41.58 98.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.494 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 4.5 t -170.14 177.83 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.41 ' N ' ' OG1' ' A' ' 46' ' ' THR . 79.9 t -131.63 122.57 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -54.28 133.83 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.36 95.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.55 16.09 12.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.25 173.66 54.38 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.82 -45.66 91.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.536 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -66.48 -34.09 77.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.48 -59.76 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -46.76 -48.74 20.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -53.17 -51.81 60.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.59 -32.39 5.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -48.13 -67.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.432 HD13 ' CD1' ' A' ' 15' ' ' LEU . 70.2 mt -67.29 130.25 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -123.5 168.04 13.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.494 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 82.8 t -69.97 152.35 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.6 m-80 77.34 -0.6 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 26.5 m-20 -65.18 169.3 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -129.3 112.29 13.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.489 ' CG2' HG21 ' A' ' 68' ' ' VAL . 8.5 mt -80.93 89.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.0 t -66.67 -38.68 82.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.4 tt0 -145.66 158.59 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.624 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.3 118.66 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 52.05 21.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.408 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.71 -27.89 12.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 72' ' ' SER . 62.6 mt -65.7 136.71 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.416 ' N ' HG21 ' A' ' 71' ' ' ILE . 4.3 t -92.12 121.33 33.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.464 ' CD2' HG22 ' A' ' 84' ' ' VAL . 78.7 mt -104.7 37.47 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.0 t -107.3 140.04 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 54.2 42.42 72.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.471 ' CG2' ' CD2' ' A' ' 80' ' ' PHE . 10.2 m -135.73 144.21 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 78' ' ' GLN . 6.0 t -67.92 142.83 55.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.392 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -36.82 -48.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -41.48 -62.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.471 ' CD2' ' CG2' ' A' ' 76' ' ' VAL . 51.4 t80 -43.49 -52.75 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.06 -55.91 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -41.71 -49.84 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 87' ' ' ASN . 52.9 m -55.79 -52.78 62.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.547 ' CG1' ' CG1' ' A' ' 68' ' ' VAL . 90.4 t -52.09 -53.76 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.475 ' CD1' HG23 ' A' ' 26' ' ' ILE . 24.4 mt -61.62 -20.66 63.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 3.9 ttt180 -87.99 -26.73 22.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' THR . 19.7 m-80 -81.16 -38.2 27.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.466 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . 2.2 p -37.18 155.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.599 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.4 mptt -126.37 -175.48 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.12 -80.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -82.36 141.31 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 0.806 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 44.5 t -141.63 131.13 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.46 105.42 16.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.624 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 95.6 m-85 -99.91 122.24 42.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.7 t -100.04 93.37 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.598 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.6 mm -79.91 157.77 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -123.5 103.96 0.82 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.88 154.36 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.1 tt0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.5 110.76 22.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.3 p90 -131.58 133.7 24.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.86 15.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' PHE . 24.1 t -122.19 117.6 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -81.74 119.79 24.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.462 HD13 ' CB ' ' A' ' 53' ' ' ALA . 4.0 mt -119.97 137.93 53.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -105.37 108.48 20.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 31.5 mttt -38.85 156.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' GLY . 14.4 m-20 -124.07 176.22 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -48.47 -22.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.8 -24.01 13.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.93 -131.77 8.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.0 mt -69.05 -53.68 19.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.07 48.44 6.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.434 1.084 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.524 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 5.7 pt -145.35 157.99 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.41 150.94 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 pt -128.54 167.92 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.55 142.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.56 113.88 4.74 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.2 mmm -132.51 161.95 32.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.82 108.62 2.78 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.557 1.161 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.2 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -127.62 97.01 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.4 tp -52.11 122.94 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.47 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -105.12 118.92 6.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.421 HG23 ' CB ' ' A' ' 81' ' ' ALA . 17.5 mm -83.01 109.45 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CD2' ' O ' ' A' ' 41' ' ' GLY . 94.3 m-85 -108.33 163.53 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.5 t -88.49 109.19 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -62.09 -41.95 98.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.477 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 3.2 t -169.99 178.6 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.438 ' N ' ' OG1' ' A' ' 46' ' ' THR . 95.9 t -128.39 127.31 67.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -57.3 134.95 56.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.427 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -74.69 99.85 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.06 41.47 2.61 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.2 -164.4 20.26 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.428 ' N ' ' OD2' ' A' ' 18' ' ' ASP . . . -81.35 -51.44 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.234 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.524 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -61.63 -42.9 99.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -61.17 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtm-85 -45.35 -50.81 11.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.37 -51.48 54.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.37 9.07 70.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.457 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -85.65 -66.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.445 ' CD1' HD11 ' A' ' 15' ' ' LEU . 22.1 mt -68.49 119.81 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 6.4 mm-40 -106.7 174.95 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 55.5 t -78.87 148.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.5 m-80 77.03 0.83 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -63.88 172.24 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -129.41 116.35 18.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.6 mt -84.02 91.43 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.88 -45.21 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 2.5 tt0 -141.06 158.84 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.614 HG21 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.66 119.11 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.444 ' OD2' HD13 ' A' ' 71' ' ' ILE . 0.8 OUTLIER 53.81 19.7 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.412 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.11 -26.77 14.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.444 HD13 ' OD2' ' A' ' 69' ' ' ASP . 81.2 mt -66.71 147.45 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t -100.24 124.63 45.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.9 mt -107.16 36.68 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 75' ' ' GLY . 95.1 t -107.97 140.6 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.409 ' N ' HG11 ' A' ' 74' ' ' VAL . . . 53.1 42.84 62.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.8 m -132.43 148.41 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.475 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 4.8 t -68.72 142.89 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' THR . 7.9 tt0 -38.74 -45.98 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -44.23 -62.01 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -42.22 -58.49 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' CB ' HG23 ' A' ' 42' ' ' ILE . . . -50.53 -41.64 54.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.501 ' O ' ' CD ' ' A' ' 86' ' ' ARG . . . -61.59 -39.86 92.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -68.29 -52.42 33.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 71' ' ' ILE . 81.9 t -52.65 -54.85 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.3 mt -54.96 -26.88 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -85.45 -21.57 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -77.13 -41.83 40.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.516 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 70.7 p -42.35 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.62 ' O ' ' C ' ' A' ' 90' ' ' GLY . 52.2 mmtt -137.67 -168.22 2.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.14 -85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.03 140.22 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.516 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 21.3 t -138.35 136.47 44.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.94 109.43 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.614 ' CD1' HG21 ' A' ' 68' ' ' VAL . 99.4 m-85 -104.42 122.91 46.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 5.5 t -100.78 93.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.595 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 mm -80.06 155.19 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.49 107.69 1.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.23 146.27 27.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.87 111.01 22.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.087 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 14.2 p90 -131.26 131.97 23.38 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.407 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -75.03 125.21 9.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.569 1.826 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.486 HG11 ' CB ' ' A' ' 58' ' ' ARG . 24.8 t -116.86 120.16 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.29 139.49 35.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mt -141.4 138.25 32.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -104.19 110.46 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 27.1 mttt -40.39 155.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -122.33 176.44 5.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -49.65 -21.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -103.95 -23.02 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.3 -137.76 11.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 45.5 mt -62.48 -51.5 67.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 0.806 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.71 55.18 3.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.49 HG22 ' CB ' ' A' ' 53' ' ' ALA . 1.2 pt -155.06 160.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 m -116.09 144.58 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.01 163.16 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.9 tt -141.3 143.89 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.86 112.81 4.54 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.448 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -132.4 140.38 48.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.974 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.86 111.23 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -126.83 97.04 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.444 HD13 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -48.65 131.69 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -114.14 120.26 5.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.4 mm -84.07 104.7 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.448 ' CE2' ' HB2' ' A' ' 29' ' ' MET . 94.0 m-85 -103.27 163.29 12.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 63' ' ' ASP . 28.5 t -91.2 106.1 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -61.6 -41.38 97.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.474 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 4.6 t -170.57 170.24 6.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.8 t -122.47 121.3 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.48 142.06 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.77 115.57 14.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.08 29.24 51.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.25 -155.5 31.21 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 22' ' ' LEU . . . -86.31 -61.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.49 ' CB ' HG22 ' A' ' 24' ' ' ILE . . . -59.85 -25.11 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -69.63 -60.86 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -49.07 -50.64 35.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -49.88 -56.52 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.33 -22.39 41.05 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.486 ' CB ' HG11 ' A' ' 13' ' ' VAL . 4.5 mmm180 -59.74 -65.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.53 HD13 ' CG ' ' A' ' 94' ' ' PHE . 33.5 mt -68.44 101.29 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.458 ' N ' ' OD2' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -98.41 171.94 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 54.5 t -69.36 148.9 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.3 m-80 76.75 0.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 60' ' ' GLN . 12.0 m-20 -65.82 148.95 50.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -110.76 113.26 25.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.462 ' CG2' HG22 ' A' ' 68' ' ' VAL . 9.2 mt -80.87 92.38 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.8 t -68.91 -38.69 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 5.7 tt0 -145.89 158.77 43.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.612 HG21 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.58 117.79 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.69 21.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.429 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.96 -27.97 12.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.475 HG22 ' CG1' ' A' ' 84' ' ' VAL . 70.9 mt -65.94 137.73 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.429 ' N ' HG23 ' A' ' 71' ' ' ILE . 4.1 t -91.47 126.26 36.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.9 mt -110.93 39.36 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.6 t -111.94 134.87 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.34 37.66 94.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.448 ' CG2' ' CD2' ' A' ' 80' ' ' PHE . 10.6 m -130.62 145.4 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' GLN . 8.0 t -68.14 141.15 56.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.401 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -35.95 -48.25 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -42.21 -59.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.448 ' CD2' ' CG2' ' A' ' 76' ' ' VAL . 66.4 t80 -46.23 -56.98 4.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.14 -48.03 68.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.81 -44.53 66.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -64.68 -49.02 72.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.475 ' CG1' HG22 ' A' ' 71' ' ' ILE . 73.9 t -54.82 -54.75 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.4 mt -54.14 -27.04 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -83.83 -23.33 31.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 88' ' ' THR . 5.5 m-80 -75.11 -45.75 39.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.509 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 69.0 p -39.77 160.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 90' ' ' GLY . 10.0 mmtp -132.48 -170.77 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.13 -82.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -81.93 137.74 35.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.509 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 38.6 t -139.27 132.3 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.407 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -102.79 104.71 15.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.612 ' CD1' HG21 ' A' ' 68' ' ' VAL . 94.3 m-85 -98.1 121.18 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 7.1 t -98.85 92.81 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.1 mm -81.66 156.38 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 9' ' ' GLU . . . -116.39 102.49 1.06 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.554 ' HD2' ' CE1' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -91.54 150.89 20.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.763 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 mt -93.47 111.24 22.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 23.4 p90 -132.92 132.43 22.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.82 12.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.752 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.477 HG13 ' CD1' ' A' ' 59' ' ' ILE . 31.4 t -119.2 123.25 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -81.74 136.27 35.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.421 HD12 ' CE2' ' A' ' 94' ' ' PHE . 1.7 mt -136.28 132.18 35.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.95 98.3 9.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.4 mtpt -40.65 159.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' GLY . 12.8 m-20 -122.18 176.44 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -49.18 -22.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 15.7 t0 -100.19 -25.17 14.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 126.46 -141.3 12.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.466 HD21 ' CG ' ' A' ' 17' ' ' LYS . 29.8 mt -63.07 -53.78 48.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.02 43.17 6.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.49 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 1.3 pt -143.85 165.0 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -119.69 145.58 46.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.983 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.405 HG21 ' CD1' ' A' ' 85' ' ' LEU . 2.1 pt -118.36 179.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.473 HG12 ' CG ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -155.69 139.18 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.23 109.39 3.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.6 mmm -129.82 160.85 32.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.0 111.88 3.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -127.5 110.1 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -70.53 116.1 10.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.5 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -96.55 121.71 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.8 111.09 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 77.0 m-85 -109.02 164.79 12.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.531 ' CG2' ' OD1' ' A' ' 63' ' ' ASP . 44.2 t -88.42 106.15 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' N ' HG21 ' A' ' 27' ' ' ILE . 44.4 tptt -58.32 -42.2 86.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.474 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 6.7 t -170.83 176.44 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.2 t -129.38 123.75 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -59.58 134.77 57.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.97 108.28 5.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.67 14.93 35.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.24 -165.17 37.41 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.3 -57.53 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.49 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -56.98 -33.95 67.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -64.81 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -41.02 -46.64 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -60.42 -49.02 79.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 90.07 -36.77 3.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -38.38 -67.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.276 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.477 ' CD1' HG13 ' A' ' 13' ' ' VAL . 6.8 mt -67.43 136.12 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 10.3 mm-40 -120.35 177.08 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.352 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 55.0 t -84.96 147.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 12.8 m-80 78.29 2.7 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.531 ' OD1' ' CG2' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -64.99 179.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.46 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 13.3 tt0 -131.71 113.98 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.455 ' CG2' HD12 ' A' ' 73' ' ' LEU . 10.6 mt -85.14 86.71 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.466 HG11 ' CG2' ' A' ' 74' ' ' VAL . 53.2 t -63.85 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 2.5 tt0 -145.68 159.5 43.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.36 113.29 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 93' ' ' ARG . 12.2 t0 57.43 26.58 12.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 102.58 -27.35 20.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.45 ' CD1' HG13 ' A' ' 84' ' ' VAL . 97.6 mt -65.91 141.52 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -96.91 121.98 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 HD12 ' CG2' ' A' ' 65' ' ' ILE . 14.8 mt -105.53 26.66 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.466 ' CG2' HG11 ' A' ' 66' ' ' VAL . 71.0 t -104.22 132.72 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.41 33.08 83.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.485 HG21 ' CD1' ' A' ' 80' ' ' PHE . 6.0 m -129.29 150.65 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.2 t -68.51 140.62 55.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -40.83 -35.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.5 -54.27 45.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.485 ' CD1' HG21 ' A' ' 76' ' ' VAL . 22.7 t80 -48.36 -55.08 11.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.67 -47.26 73.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.94 77.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.9 m -61.87 -48.56 79.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' ASN . 39.6 t -56.35 -57.61 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 88' ' ' THR . 57.2 mt -51.63 -25.39 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -86.0 -23.47 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' VAL . 6.2 m-80 -80.62 -35.81 33.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.494 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 44.0 p -43.59 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 90' ' ' GLY . 2.0 mmpt? -134.19 -169.38 2.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -23.95 -82.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.16 137.67 35.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.494 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 22.8 t -141.02 132.46 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -100.15 124.84 46.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.658 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 80.3 m-85 -114.78 121.04 42.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 4.8 t -96.46 91.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.587 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.3 mm -80.28 154.25 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.97 108.43 1.46 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.98 148.56 26.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.7 tt0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.86 111.29 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.603 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 21.6 p90 -133.95 134.21 22.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.38 14.24 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.423 1.749 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' PHE . 21.8 t -121.45 128.49 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.472 ' CG ' ' NE ' ' A' ' 93' ' ' ARG . 6.9 mt-10 -86.44 145.53 26.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mt -150.42 135.93 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.35 123.3 47.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 88' ' ' THR . 65.9 mttt -56.68 149.22 18.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' GLY . 6.0 m-20 -124.81 176.25 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -39.52 -29.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ASP . 33.9 t0 -118.43 51.36 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 53.5 -137.15 39.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 17' ' ' LYS . 2.8 mt -75.16 -53.0 9.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.3 49.32 3.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.53 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -138.51 152.98 25.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 0.731 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -109.0 140.67 42.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 pt -116.18 158.39 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.467 HG12 ' CG ' ' A' ' 29' ' ' MET . 0.7 OUTLIER -135.66 135.35 51.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.87 107.93 3.61 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.467 ' CG ' HG12 ' A' ' 27' ' ' ILE . 2.1 mmm -128.64 160.96 30.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.91 112.4 4.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.4 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -127.59 99.4 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.27 129.04 40.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.4 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -106.37 126.0 8.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.7 mm -87.72 100.16 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -101.95 163.85 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG2' ' OD2' ' A' ' 63' ' ' ASP . 21.3 t -92.1 101.67 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' N ' HG22 ' A' ' 27' ' ' ILE . 2.9 tttm -55.45 -42.76 74.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.48 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 3.6 t -170.75 171.4 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.6 t -125.41 123.22 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -50.91 138.71 18.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -72.22 115.74 11.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 37.57 16.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.36 -169.57 28.01 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.01 -38.99 30.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.53 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -74.94 -33.01 61.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -66.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -42.52 -37.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -56.59 -56.59 19.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.45 -36.0 4.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.506 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -47.31 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 0.805 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.403 ' CD1' HG11 ' A' ' 13' ' ' VAL . 11.9 mt -67.8 131.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 12.8 mt-30 -130.44 150.76 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 90.2 t -42.35 150.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.8 m-80 76.97 0.7 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -64.22 142.11 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.479 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 32.0 tt0 -110.01 106.61 16.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.492 ' CG2' HG23 ' A' ' 68' ' ' VAL . 11.9 mt -79.37 88.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.89 -36.79 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.5 tt0 -144.26 158.64 43.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.558 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.35 117.66 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 53.06 21.16 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.76 -28.58 11.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 84' ' ' VAL . 36.0 mt -66.03 136.16 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -89.56 136.5 32.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 57.9 mt -121.54 41.88 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.6 t -110.88 131.59 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.27 81.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 m -118.2 145.85 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.746 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' GLN . 3.1 t -68.79 140.52 55.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' THR . 4.4 tt0 -38.68 -42.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -51.69 -58.2 7.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 4.6 t80 -45.08 -54.9 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' ALA . . . -52.91 -57.95 8.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' ALA . . . -40.02 -50.76 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' ASN . 85.7 m -55.22 -51.95 64.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.459 HG23 ' CG2' ' A' ' 71' ' ' ILE . 25.0 t -53.17 -57.76 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' A' ' 88' ' ' THR . 33.7 mt -58.26 -19.92 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.43 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 1.7 ttt180 -89.28 -25.6 21.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.0 m-80 -81.73 -35.71 29.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.465 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 1.9 p -40.11 161.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.579 ' O ' ' C ' ' A' ' 90' ' ' GLY . 5.7 mmpt? -133.17 -170.61 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -20.27 -82.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -80.68 140.19 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.583 ' CG1' ' CZ ' ' A' ' 94' ' ' PHE . 47.3 t -141.61 117.97 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.472 ' NE ' ' CG ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -91.57 110.99 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.583 ' CZ ' ' CG1' ' A' ' 92' ' ' VAL . 97.2 m-85 -104.6 123.71 48.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.6 t -98.81 93.99 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.603 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.4 mm -79.58 156.2 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.66 102.4 0.66 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.38 154.28 20.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.7 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 mt -93.34 110.84 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 21.3 p90 -127.88 132.46 24.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.402 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -75.01 130.97 13.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' PHE . 40.7 t -122.36 119.07 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.77 134.8 35.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.451 HD13 ' CD2' ' A' ' 94' ' ' PHE . 6.9 mt -135.15 143.26 46.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.1 mt-10 -108.09 109.49 20.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.442 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 29.4 mttt -38.5 152.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' GLY . 3.0 m-20 -121.76 176.92 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -47.71 -24.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -104.29 -23.11 13.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.38 -132.05 8.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.3 mt -66.2 -52.57 46.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.774 . . . . 0.0 109.258 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.05 51.41 4.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.468 HG21 ' CB ' ' A' ' 53' ' ' ALA . 12.7 pt -151.81 152.13 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.69 147.77 31.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.411 HG22 ' CD1' ' A' ' 85' ' ' LEU . 1.2 pt -125.81 160.74 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -135.61 139.96 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.88 117.2 5.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.452 ' N ' HD11 ' A' ' 40' ' ' LEU . 1.7 mmm -135.48 153.53 51.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.4 107.32 3.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.436 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.9 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.0 97.07 4.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -49.47 130.51 20.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.436 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -113.05 120.35 5.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.9 mm -86.36 102.73 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 96.3 m-85 -102.56 164.06 11.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.3 t -91.65 104.2 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.431 ' N ' HG21 ' A' ' 27' ' ' ILE . 17.1 tptm -56.77 -43.13 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.482 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 2.8 t -170.29 175.24 4.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.41 ' N ' ' OG1' ' A' ' 46' ' ' THR . 70.8 t -123.82 125.27 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -55.51 150.81 11.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.95 111.82 18.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.82 11.67 61.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.68 -170.85 6.46 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.4 ' CB ' ' OD1' ' A' ' 18' ' ' ASP . . . -81.63 -46.27 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' A' ' 24' ' ' ILE . . . -68.19 -34.45 76.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.71 -59.35 5.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -49.98 -51.36 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -46.43 -56.22 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.449 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 92.42 11.42 59.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -92.81 -65.92 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.5 mt -68.69 115.78 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 15.6 mm-40 -104.74 174.69 5.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 52.4 t -74.92 149.42 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 8.9 m-80 76.63 0.52 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 14.6 m-20 -62.64 159.93 15.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -121.35 110.17 15.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.456 ' CG2' HG22 ' A' ' 68' ' ' VAL . 7.8 mt -77.85 88.59 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.2 t -65.0 -38.03 81.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.9 tt0 -147.12 155.17 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -139.97 118.47 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 52.04 21.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.41 -27.59 15.0 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.473 ' CG2' HG12 ' A' ' 84' ' ' VAL . 42.9 mt -66.81 140.47 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -94.51 128.4 41.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.435 ' CD2' HG21 ' A' ' 71' ' ' ILE . 17.3 mt -112.13 39.29 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.1 t -111.38 139.45 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.17 42.71 88.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 10.9 m -137.57 145.03 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' GLN . 9.9 t -68.42 143.45 55.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' THR . 13.3 tt0 -37.94 -47.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.44 -57.73 2.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 8.6 t80 -50.45 -51.93 42.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.29 -51.05 65.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.59 -47.13 28.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 87' ' ' ASN . 82.7 m -57.18 -53.02 62.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.456 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.528 ' CG1' ' CG1' ' A' ' 68' ' ' VAL . 99.5 t -52.04 -55.93 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.411 ' CD1' HG22 ' A' ' 26' ' ' ILE . 34.9 mt -61.03 -20.13 62.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -88.46 -25.09 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.4 m-80 -81.98 -37.58 26.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.473 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 6.5 p -37.05 150.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.58 ' O ' ' C ' ' A' ' 90' ' ' GLY . 19.6 mttt -125.17 -171.34 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -20.29 -82.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -82.94 141.43 32.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.57 HG13 ' CZ ' ' A' ' 94' ' ' PHE . 40.9 t -141.12 133.63 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.402 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -104.29 106.27 16.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.599 ' CD1' HG21 ' A' ' 68' ' ' VAL . 95.6 m-85 -100.3 120.6 40.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.5 t -100.31 92.7 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.589 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.3 mm -80.38 158.9 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -122.69 119.45 3.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -118.44 150.63 39.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 1.4 mm? -93.8 111.16 22.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 19.9 p90 -132.36 135.27 26.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.4 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.1 Cg_endo -75.05 134.66 17.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 94' ' ' PHE . 37.4 t -126.39 126.04 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -85.47 147.4 26.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -150.28 134.11 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -104.09 108.76 20.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 64.4 mttt -41.63 145.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -118.65 175.7 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -41.49 -27.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 18' ' ' ASP . 6.0 t70 -118.57 49.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 58.56 -147.93 38.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mt -61.84 -58.46 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.94 52.47 1.18 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.481 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 1.1 pt -150.86 158.41 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 m -116.03 146.64 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.97 162.52 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -136.47 139.52 45.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.55 114.35 4.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.476 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.5 mmm -132.26 152.76 51.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.38 108.59 3.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 119.47 26.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -71.75 129.47 38.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' MET . . . -105.46 138.09 14.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.6 mm -102.32 96.82 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' ILE . 90.8 m-85 -100.52 163.36 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.456 ' CG2' ' OD2' ' A' ' 63' ' ' ASP . 23.1 t -91.32 106.85 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.429 ' N ' HG21 ' A' ' 27' ' ' ILE . 29.9 tttp -60.32 -41.14 92.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.482 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 2.5 t -170.41 174.43 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.404 ' N ' ' OG1' ' A' ' 46' ' ' THR . 80.8 t -123.98 126.74 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -54.17 148.83 10.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.45 103.04 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.34 7.74 51.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.02 -174.72 27.57 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.98 -62.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 0.705 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.481 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -53.29 -29.11 31.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -70.74 -62.77 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -56.25 -30.54 62.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -65.58 -51.95 55.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.43 -35.0 4.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.536 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -46.06 -70.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.5 mt -67.56 133.92 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -130.84 148.11 52.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 97.0 t -40.97 150.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.0 m-80 76.89 0.41 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.509 ' OD1' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -63.44 142.7 58.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.474 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 36.0 tt0 -109.88 105.42 14.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.475 ' CG2' HG22 ' A' ' 68' ' ' VAL . 7.5 mt -76.86 85.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.465 HG11 ' CG2' ' A' ' 74' ' ' VAL . 58.9 t -63.18 -38.9 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 9.3 tt0 -143.94 155.56 44.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.584 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -140.78 119.71 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 51.44 21.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.412 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.92 -28.37 12.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.478 ' CD1' HG13 ' A' ' 84' ' ' VAL . 68.8 mt -66.05 136.61 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.407 ' N ' HG23 ' A' ' 71' ' ' ILE . 2.4 t -92.09 123.02 35.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.1 mt -107.58 35.88 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.465 ' CG2' HG11 ' A' ' 66' ' ' VAL . 48.6 t -106.82 138.04 34.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.409 ' N ' HG11 ' A' ' 74' ' ' VAL . . . 56.1 42.08 86.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.51 HG23 ' CD1' ' A' ' 80' ' ' PHE . 14.0 m -135.37 144.7 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 80' ' ' PHE . 9.0 t -66.71 138.18 57.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 110.379 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' THR . 8.5 tt0 -36.12 -45.94 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.35 -51.29 6.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.51 ' CD1' HG23 ' A' ' 76' ' ' VAL . 45.7 t80 -57.29 -53.31 59.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.19 -45.37 79.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.92 73.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.5 m -62.51 -51.22 68.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.478 HG13 ' CD1' ' A' ' 71' ' ' ILE . 76.3 t -53.72 -56.77 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.4 mt -52.89 -27.2 17.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -85.17 -23.65 28.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 84' ' ' VAL . 6.5 m-20 -75.77 -41.88 51.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.488 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 64.2 p -43.81 163.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.597 ' O ' ' C ' ' A' ' 90' ' ' GLY . 6.0 mmtt -134.48 -169.32 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.35 -80.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -81.93 138.09 35.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.77 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.488 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 36.9 t -141.28 133.46 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.4 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -104.66 106.97 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.584 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 99.1 m-85 -100.92 123.37 45.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.5 t -99.99 94.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.59 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.7 mm -80.17 156.12 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -124.83 102.8 0.7 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -104.56 154.5 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.237 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 6.9 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.7 mt -99.13 110.39 22.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.55 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 4.6 p90 -126.19 135.57 27.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.5 10.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.412 HG12 ' CD1' ' A' ' 59' ' ' ILE . 31.6 t -117.99 124.02 72.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -83.76 144.31 29.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mt -146.71 138.29 24.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -106.92 114.94 29.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 21.9 mttt -41.4 147.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.491 ' OD1' ' CB ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -115.83 175.83 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -48.09 -23.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -105.72 -22.17 13.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 121.41 -137.0 11.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.24 -57.66 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.18 51.08 3.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.511 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 1.2 pt -152.31 163.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.9 m -113.89 152.86 30.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 pt -130.34 158.22 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.418 HG12 ' CG ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -138.88 137.88 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.95 112.66 4.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.418 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.2 mmm -131.13 162.67 29.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.82 116.61 5.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -127.85 97.48 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.7 tp -54.32 124.37 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -103.46 121.83 7.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.5 mm -84.06 100.31 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 41' ' ' GLY . 87.6 m-85 -101.78 163.42 12.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 61' ' ' VAL . 43.5 t -93.79 112.36 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' HG21 ' A' ' 27' ' ' ILE . 22.0 tptm -63.42 -40.85 98.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 8.6 t -170.49 179.88 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.437 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.83 131.72 69.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -63.82 138.21 58.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.07 102.39 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.52 31.28 5.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.5 -157.67 29.7 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.491 ' CB ' ' OD1' ' A' ' 18' ' ' ASP . . . -89.21 -48.39 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.511 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -65.97 -33.02 74.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -65.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -40.68 -49.26 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.6 -55.28 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 92.63 -0.51 70.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.494 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -76.08 -68.48 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 110.298 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.412 ' CD1' HG12 ' A' ' 13' ' ' VAL . 13.3 mt -69.07 134.81 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 6.9 mm-40 -118.5 175.49 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 53.1 t -70.62 148.68 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 12.1 m-80 77.5 3.28 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -61.83 142.48 57.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.506 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 36.6 tt0 -106.61 103.13 12.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.494 ' CG2' HG21 ' A' ' 68' ' ' VAL . 9.2 mt -73.24 84.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.68 -37.15 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.1 tt0 -146.12 157.23 43.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.578 HG23 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.18 118.32 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 52.87 20.76 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.414 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.33 -27.83 13.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 72' ' ' SER . 62.0 mt -66.43 136.09 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.402 ' N ' HG23 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -92.02 122.56 34.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.998 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 42.3 mt -106.86 41.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.6 t -109.4 139.83 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.377 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.417 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 53.23 42.42 63.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.2 m -131.33 150.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.478 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 10.0 t -68.22 140.0 56.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -37.51 -41.07 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.19 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -40.1 -56.83 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -51.52 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.01 -46.45 52.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 53.4 m -60.95 -50.38 73.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.2 t -54.15 -56.3 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 mt -53.13 -25.53 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -86.68 -24.32 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -76.85 -37.79 54.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.501 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 47.6 p -41.54 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.614 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.3 mmtt -134.84 -172.05 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.65 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -80.55 138.88 36.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.501 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 31.4 t -142.02 129.63 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -102.86 121.12 41.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.578 ' CD1' HG23 ' A' ' 68' ' ' VAL . 99.2 m-85 -113.71 121.68 44.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.7 t -94.8 94.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.55 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.1 mm -79.61 146.57 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.96 102.21 0.96 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -101.25 156.31 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.8 mt -93.6 111.09 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.601 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 20.8 p90 -133.05 132.59 22.42 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.28 14.13 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.439 HG12 ' CD1' ' A' ' 59' ' ' ILE . 42.2 t -121.5 123.12 68.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -82.15 136.29 35.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.403 HD12 ' CD1' ' A' ' 59' ' ' ILE . 1.7 mt -138.94 133.25 31.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.58 120.86 37.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' CD ' ' O ' ' A' ' 89' ' ' LYS . 2.1 mtpt -65.42 132.55 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.8 m-20 -110.08 176.28 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -39.55 -29.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' ASP . 13.9 t70 -111.74 52.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 49.98 -133.23 28.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.59 -52.59 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.41 41.51 3.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.47 HG23 ' CB ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -137.64 156.34 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -111.93 156.86 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 pt -127.81 177.79 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -153.26 139.18 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.09 109.93 3.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 mmm -128.19 158.51 37.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.995 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.31 111.28 3.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.434 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.1 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -127.57 99.6 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 7.4 tp -61.38 131.02 48.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.434 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -107.37 116.97 5.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.0 mm -83.92 101.76 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -101.96 163.91 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 111.02 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.5 t -89.52 104.56 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -55.14 -45.24 75.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.485 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 5.4 t -170.53 179.39 3.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.415 ' N ' ' OG1' ' A' ' 46' ' ' THR . 65.2 t -131.29 129.8 62.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -61.9 134.3 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.89 110.07 5.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.85 33.01 9.35 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.45 -158.48 30.79 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.59 -49.95 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.47 ' CB ' HG23 ' A' ' 24' ' ' ILE . . . -64.37 -36.58 84.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -65.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -41.87 -44.38 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -47.56 -55.87 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.18 -4.09 77.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.441 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.0 -64.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.341 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.439 ' CD1' HG12 ' A' ' 13' ' ' VAL . 5.8 mt -68.89 131.47 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 7.3 mm-40 -119.16 174.99 6.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 54.0 t -79.03 148.23 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.1 m-80 77.2 0.8 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -63.12 172.14 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -128.26 109.87 11.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CG2' HG21 ' A' ' 68' ' ' VAL . 57.6 mt -80.92 86.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.481 HG13 ' CG2' ' A' ' 74' ' ' VAL . 54.6 t -62.45 -39.32 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 4.7 tt0 -146.5 156.88 43.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.646 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -142.02 114.69 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 69' ' ' ASP . 16.4 t0 55.81 28.12 11.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.31 -26.15 25.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.438 ' CG2' HG22 ' A' ' 84' ' ' VAL . 85.3 mt -67.05 139.62 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 71' ' ' ILE . 3.1 t -95.15 120.34 35.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.971 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.3 mt -104.6 27.13 8.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.481 ' CG2' HG13 ' A' ' 66' ' ' VAL . 77.4 t -104.51 137.07 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.24 33.19 79.21 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.572 HG21 ' CD1' ' A' ' 80' ' ' PHE . 12.0 m -127.7 148.99 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.777 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.474 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 6.8 t -69.46 144.39 53.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' THR . 32.0 tt0 -38.57 -48.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.32 -61.69 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.572 ' CD1' HG21 ' A' ' 76' ' ' VAL . 36.1 t80 -43.26 -58.14 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.36 -48.45 74.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.487 ' O ' ' CG ' ' A' ' 86' ' ' ARG . . . -55.16 -45.24 75.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -57.92 -55.51 33.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.566 ' HA ' ' ND2' ' A' ' 87' ' ' ASN . 60.5 t -54.48 -62.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.427 ' O ' ' OG1' ' A' ' 88' ' ' THR . 23.7 mt -53.29 -18.26 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -93.39 -19.22 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.255 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.566 ' ND2' ' HA ' ' A' ' 84' ' ' VAL . 34.3 p30 -106.26 11.95 30.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.463 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -67.16 141.83 57.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' ' C ' ' A' ' 90' ' ' GLY . 2.1 mmtt -99.25 -179.67 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -28.81 -84.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.37 133.28 35.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 89' ' ' LYS . 23.0 t -133.37 127.91 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -94.01 121.06 35.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.646 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 89.2 m-85 -110.48 120.77 43.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 6.0 t -97.34 91.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.601 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 1.8 mm -80.92 154.04 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.18 109.14 1.83 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.35 139.16 36.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.7 mt -94.51 110.24 22.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 10.9 p90 -124.9 133.86 25.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.25 17.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 110.99 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 94' ' ' PHE . 43.8 t -127.46 118.29 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.14 139.19 34.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mt -139.14 140.45 37.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 4.2 mt-10 -109.82 106.76 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.446 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 68.3 mttt -39.66 156.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' GLY . 6.3 m-20 -129.9 176.35 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 20' ' ' ASP . 0.8 OUTLIER -40.75 -29.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 5.8 t0 -120.92 49.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 58.91 -142.93 45.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.565 1.165 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.14 -56.32 5.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.0 49.25 1.94 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -141.85 152.6 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 m -107.07 155.52 19.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.422 HG21 ' CD1' ' A' ' 85' ' ' LEU . 1.4 pt -133.05 157.09 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.444 HG23 ' CA ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -133.85 142.9 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.62 117.52 5.82 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.454 ' N ' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -133.67 156.2 48.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.59 103.91 2.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.458 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -121.54 96.87 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.454 HD11 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -53.41 131.16 37.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.32 120.35 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.454 HG21 ' CB ' ' A' ' 81' ' ' ALA . 20.8 mm -84.14 99.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 27' ' ' ILE . 93.9 m-85 -99.56 163.9 12.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.3 t -90.36 110.49 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' CA ' HG23 ' A' ' 27' ' ' ILE . 42.6 tptt -61.07 -45.64 93.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.47 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 2.8 t -170.21 171.6 6.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.419 ' N ' ' HG1' ' A' ' 46' ' ' THR . 95.0 t -123.59 122.42 64.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -51.86 137.74 25.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.79 94.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.84 40.71 2.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.76 -171.96 29.08 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.33 -45.02 42.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -69.33 -31.8 70.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.48 -65.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -40.6 -43.97 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -51.81 -55.98 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.68 -3.51 71.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.469 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -82.23 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.1 mt -67.85 123.6 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 3.0 mm-40 -112.87 175.24 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 53.0 t -78.19 148.2 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.3 m-80 77.23 0.16 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.354 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 16.1 m-20 -61.91 171.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -129.52 110.87 12.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CG2' HG21 ' A' ' 68' ' ' VAL . 12.6 mt -81.04 88.06 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.5 t -64.13 -39.84 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 9.4 tt0 -143.83 158.65 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.603 HG23 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.74 118.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.2 21.25 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.404 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.12 -27.42 14.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 111.057 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.469 ' CD1' HG13 ' A' ' 84' ' ' VAL . 64.5 mt -66.4 136.43 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.408 ' N ' HG21 ' A' ' 71' ' ' ILE . 29.1 t -92.45 124.12 36.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.8 mt -107.99 43.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -111.87 139.47 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.49 41.8 64.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.472 HG23 ' CD2' ' A' ' 80' ' ' PHE . 11.9 m -133.86 145.19 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 78' ' ' GLN . 10.0 t -68.24 140.87 56.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 77' ' ' THR . 12.1 tt0 -37.23 -45.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -44.18 -55.45 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.472 ' CD2' HG23 ' A' ' 76' ' ' VAL . 68.7 t80 -49.9 -56.36 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.454 ' CB ' HG21 ' A' ' 42' ' ' ILE . . . -54.75 -47.36 73.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.33 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.6 m -64.49 -49.42 71.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 71' ' ' ILE . 96.5 t -54.05 -57.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.422 ' CD1' HG21 ' A' ' 26' ' ' ILE . 66.3 mt -52.58 -28.13 19.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -83.83 -22.38 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' VAL . 1.5 m-80 -79.42 -45.8 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.486 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 9.9 p -38.07 155.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.587 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.0 OUTLIER -128.65 -170.42 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.79 -80.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.85 138.95 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.503 ' CG1' ' CZ ' ' A' ' 94' ' ' PHE . 40.1 t -141.18 132.84 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 103.47 13.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.603 ' CD1' HG23 ' A' ' 68' ' ' VAL . 99.3 m-85 -99.33 121.75 41.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.5 t -101.07 92.68 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.587 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.6 mm -80.31 157.08 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.04 121.77 4.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.59 144.33 44.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 110.9 22.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.6 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.35 136.12 28.16 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.432 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -74.99 134.96 18.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.464 HG11 ' CD1' ' A' ' 59' ' ' ILE . 24.6 t -127.49 122.47 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.01 136.12 34.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' VAL . 1.8 mt -143.07 128.52 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -95.47 127.54 41.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' NZ ' ' O ' ' A' ' 88' ' ' THR . 40.9 mttt -62.75 149.96 42.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -121.46 175.44 6.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ASP . 10.2 pt-20 -38.69 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ASP . 5.3 t70 -119.16 53.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 56.15 -148.81 28.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -68.02 -56.55 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.3 38.04 2.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.506 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -132.35 156.48 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 m -113.62 156.1 24.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 pt -124.94 171.9 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -148.73 143.53 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.51 112.14 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.7 mmm -133.66 158.76 42.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -109.43 112.29 3.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.29 98.52 5.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 76' ' ' VAL . 5.2 tp -55.86 112.39 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -92.1 114.49 4.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 73' ' ' LEU . 18.6 mm -83.27 99.87 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.452 0.737 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 86.6 m-85 -98.7 163.49 12.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -87.63 110.42 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -61.84 -42.5 99.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.487 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 4.1 t -170.36 172.65 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.409 ' CG2' HG21 ' A' ' 24' ' ' ILE . 92.8 t -127.22 125.37 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.3 m -51.15 138.69 19.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -71.37 99.81 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.0 28.16 9.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.05 -168.46 42.86 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 22' ' ' LEU . . . -72.35 -59.28 2.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.506 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -61.29 -24.85 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -65.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -47.56 -47.29 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -49.0 -55.74 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.9 -32.37 6.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -49.6 -70.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.464 ' CD1' HG11 ' A' ' 13' ' ' VAL . 7.9 mt -66.48 129.64 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -125.54 167.89 14.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.487 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 74.5 t -68.19 151.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 14.4 m-80 79.06 -1.07 2.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 22.1 m-20 -66.38 170.57 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.426 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 16.8 tt0 -129.28 123.63 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 27.1 mt -91.71 94.66 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.7 t -74.94 -40.04 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 71' ' ' ILE . 3.1 tt0 -146.16 148.31 32.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.615 HG21 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -132.9 108.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.59 11.73 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' O ' ' CD ' ' A' ' 67' ' ' GLU . . . 113.15 -12.59 24.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.492 ' CG2' HG12 ' A' ' 84' ' ' VAL . 58.3 mt -85.95 129.81 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.67 122.74 23.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.49 HD22 ' CG1' ' A' ' 84' ' ' VAL . 13.6 mt -104.56 -6.64 20.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.9 144.14 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 69.15 31.28 71.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 4.1 m -135.33 156.25 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 80' ' ' PHE . 9.8 t -68.36 138.75 55.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -41.2 -33.34 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.82 -52.23 65.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 84' ' ' VAL . 8.3 t80 -51.98 -54.76 25.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -40.87 73.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.9 88.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -68.09 -45.22 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.492 HG12 ' CG2' ' A' ' 71' ' ' ILE . 70.5 t -59.4 -56.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.1 mt -54.1 -22.51 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -87.02 -15.68 37.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 84' ' ' VAL . 4.1 m-80 -91.15 -38.47 12.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.475 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 44.6 p -39.3 159.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -129.01 178.09 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -15.51 -85.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.78 126.28 30.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.551 HG12 ' CZ ' ' A' ' 94' ' ' PHE . 34.0 t -127.37 132.96 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -99.26 104.04 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.615 ' CD1' HG21 ' A' ' 68' ' ' VAL . 98.0 m-85 -99.73 122.39 42.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.9 t -98.03 93.99 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.6 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.4 mm -79.61 151.09 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.95 102.57 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -103.74 148.19 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.6 mt -94.65 111.01 22.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.84 134.01 24.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.419 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.6 Cg_endo -74.93 134.69 18.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 59' ' ' ILE . 26.7 t -126.29 126.36 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -84.52 145.49 28.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 59' ' ' ILE . 1.8 mt -151.1 135.0 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.48 121.64 43.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 38.9 mttt -56.19 147.43 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -120.32 174.79 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -39.39 -29.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' ASP . 15.5 t0 -118.05 53.61 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 55.26 -146.35 29.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 3.7 mt -66.65 -57.66 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.9 41.5 2.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.495 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -137.73 161.6 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -113.93 155.63 25.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 pt -128.8 167.8 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.413 HG12 ' CG ' ' A' ' 29' ' ' MET . 0.5 OUTLIER -147.91 140.57 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.73 111.84 4.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.57 1.169 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.413 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.4 mmm -130.56 162.55 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.94 114.88 5.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -127.83 98.53 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.444 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.3 tp -54.05 129.98 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -112.02 123.13 6.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.2 mm -85.23 111.73 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 86.2 m-85 -110.99 164.67 12.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.541 ' CG2' ' OD1' ' A' ' 63' ' ' ASP . 22.0 t -89.4 104.67 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -57.08 -42.7 81.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.415 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 5.2 t -171.07 177.72 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.401 ' N ' ' OG1' ' A' ' 46' ' ' THR . 85.6 t -131.18 127.84 61.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -58.2 143.58 43.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.27 99.47 3.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.31 19.28 19.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.28 -174.67 47.86 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.462 ' CB ' HD21 ' A' ' 15' ' ' LEU . . . -71.88 -51.47 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.495 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -65.76 -27.26 68.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.79 -64.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -50.28 -44.21 53.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -46.06 -49.35 16.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 84.46 -4.73 83.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -82.66 -65.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 15' ' ' LEU . 5.6 mt -68.6 129.9 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 9.4 mm-40 -116.47 177.5 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 55.9 t -83.02 146.21 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.2 m-80 77.73 11.49 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.541 ' OD1' ' CG2' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -73.4 175.93 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 31.3 tt0 -131.17 115.91 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 68' ' ' VAL . 6.9 mt -85.39 89.96 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.435 HG12 ' CG2' ' A' ' 74' ' ' VAL . 47.6 t -68.09 -37.08 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 5.7 tt0 -147.41 159.18 43.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.601 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.95 117.86 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.65 20.16 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.26 -28.41 11.02 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.459 HG22 ' CG2' ' A' ' 84' ' ' VAL . 48.1 mt -66.12 140.24 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -93.0 123.22 36.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.464 ' CD2' HG23 ' A' ' 84' ' ' VAL . 69.7 mt -106.93 34.64 3.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.435 ' CG2' HG12 ' A' ' 66' ' ' VAL . 87.2 t -106.28 141.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.406 ' N ' HG13 ' A' ' 74' ' ' VAL . . . 52.5 44.71 59.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.9 m -133.77 147.95 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.444 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 t -68.25 143.5 55.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.1 OUTLIER -38.31 -47.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -46.31 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -37.41 -53.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.21 -58.36 7.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.86 -52.01 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' ASN . 57.8 m -56.34 -51.66 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.466 ' CG1' HG13 ' A' ' 68' ' ' VAL . 54.8 t -51.87 -55.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 68.1 mt -60.6 -24.24 65.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 1.6 ttt180 -83.6 -27.86 28.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 83' ' ' THR . 6.6 m-80 -74.75 -48.4 25.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.489 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 76.0 p -36.48 151.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.608 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.2 OUTLIER -121.83 -172.77 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -18.03 -81.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -77.73 137.53 38.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.534 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 46.7 t -140.41 131.22 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.419 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -102.69 107.48 18.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.601 ' CD1' HG22 ' A' ' 68' ' ' VAL . 95.0 m-85 -101.27 123.68 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 4.3 t -100.14 93.28 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.596 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.7 mm -80.41 152.08 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.04 105.85 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.5 146.54 26.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.2 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.9 110.45 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 9.3 p90 -126.48 131.71 24.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 120.56 6.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.491 HG13 ' CB ' ' A' ' 58' ' ' ARG . 40.6 t -111.72 122.85 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.11 145.48 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD12 ' CE2' ' A' ' 94' ' ' PHE . 1.6 mt -147.07 132.86 18.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -104.68 110.78 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' GLU . 51.6 mttt -39.27 154.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 21' ' ' GLY . 77.9 m-20 -128.72 175.9 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -41.16 -31.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.263 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.94 47.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 60.47 -141.95 47.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.69 -57.05 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.36 53.51 1.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.477 HG21 ' CB ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -142.72 153.59 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.364 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 m -111.5 138.54 47.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pt -111.36 -177.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -158.04 142.67 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.13 110.92 4.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.401 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.8 mmm -129.89 160.74 32.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.36 114.13 4.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.449 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -127.33 97.45 4.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 6.2 tp -56.73 129.88 43.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.449 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -110.42 119.51 5.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.2 mm -83.46 111.1 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 96.1 m-85 -111.25 164.24 13.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -88.59 102.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 27' ' ' ILE . 9.5 tptm -57.68 -40.98 80.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.486 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 5.7 t -170.66 170.67 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.3 t -126.53 120.29 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.4 m -49.9 134.97 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -71.7 104.54 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.44 26.33 12.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.07 170.88 32.14 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.85 -55.61 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.36 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.477 ' CB ' HG21 ' A' ' 24' ' ' ILE . . . -56.42 -43.31 79.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.3 -57.2 14.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -43.69 -41.48 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.51 -55.41 35.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.35 -20.21 50.51 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.491 ' CB ' HG13 ' A' ' 13' ' ' VAL . 3.9 mmm180 -64.58 -63.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 0.724 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -68.26 104.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.85 170.44 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 60.3 t -70.14 148.96 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.1 m-80 77.11 0.9 3.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 13.2 m-20 -64.99 170.41 4.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -129.57 112.77 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.427 ' CG2' HG21 ' A' ' 68' ' ' VAL . 6.2 mt -81.9 88.11 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.96 -39.37 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 8.7 tt0 -146.27 158.83 43.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.625 HG23 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -144.31 117.75 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 53.65 20.5 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.431 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.33 -27.29 14.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.491 ' CD1' HG13 ' A' ' 84' ' ' VAL . 64.6 mt -67.55 136.04 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.776 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.1 122.01 34.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 40.0 mt -105.11 38.01 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 75' ' ' GLY . 68.7 t -109.24 139.64 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.424 ' N ' HG12 ' A' ' 74' ' ' VAL . . . 54.54 44.79 78.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.482 ' CG2' ' CD1' ' A' ' 80' ' ' PHE . 4.6 m -136.77 151.24 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.463 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 8.2 t -68.63 141.75 55.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -39.7 -39.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -58.39 6.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.482 ' CD1' ' CG2' ' A' ' 76' ' ' VAL . 47.0 t80 -44.96 -55.45 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.25 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.02 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.6 m -62.24 -48.64 79.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.491 HG13 ' CD1' ' A' ' 71' ' ' ILE . 73.1 t -55.43 -56.56 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.0 mt -52.95 -25.47 12.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -86.24 -22.57 26.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' VAL . 1.9 m-80 -77.81 -40.93 38.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.512 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 59.4 p -42.9 164.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.611 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -137.12 -169.69 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.17 -82.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -82.88 138.08 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.512 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 23.2 t -142.04 131.94 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -104.16 118.53 36.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.625 ' CD1' HG23 ' A' ' 68' ' ' VAL . 98.5 m-85 -110.13 117.45 33.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.4 t -95.24 90.83 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.598 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.8 mm -80.64 156.31 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.11 112.27 2.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -101.84 143.32 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 5.0 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 14.1 mt -96.66 110.16 22.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 3.0 p90 -125.23 133.2 24.63 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 121.77 6.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -111.38 124.99 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.36 138.58 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 mt -144.37 137.81 27.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 5.7 mt-10 -106.59 129.25 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.432 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 67.1 mttt -59.47 150.14 27.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.5 m-20 -126.0 176.53 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -38.76 -31.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 18' ' ' ASP . 24.4 t0 -117.18 52.93 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 55.12 -145.26 30.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.24 -57.39 8.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.92 52.73 1.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.513 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -146.82 155.54 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.749 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.3 m -110.26 149.54 30.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 pt -127.81 156.75 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.447 HG21 ' CA ' ' A' ' 45' ' ' LYS . 1.1 tt -134.58 141.86 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' C ' ' HG2' ' A' ' 29' ' ' MET . . . -97.06 118.52 6.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.471 ' N ' HD13 ' A' ' 40' ' ' LEU . 1.6 mmm -136.23 148.36 48.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 0.787 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.79 107.14 3.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.6 t . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -124.24 100.43 6.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -60.07 131.07 49.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -113.72 125.03 6.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.1 mm -89.77 106.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 89.9 m-85 -106.19 163.57 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.8 t -87.72 106.4 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' CA ' HG21 ' A' ' 27' ' ' ILE . 7.3 tttt -59.59 -42.43 92.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.458 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 3.9 t -170.53 171.94 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.442 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.3 t -124.8 119.29 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -50.36 135.4 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.83 97.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.82 11.02 27.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.79 170.75 55.08 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.9 -57.16 14.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -56.86 -35.01 68.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.22 -60.3 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -48.99 -39.75 27.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -55.19 -54.04 48.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 89.95 -4.02 83.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -79.6 -67.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.6 mt -68.29 123.29 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 2.8 mm-40 -110.32 175.04 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 51.3 t -76.09 149.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.1 m-80 77.6 0.14 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 22.6 m-20 -62.28 170.73 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -128.43 112.77 14.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.47 ' CG2' HG22 ' A' ' 68' ' ' VAL . 19.0 mt -82.66 86.09 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.8 t -64.31 -35.35 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 6.0 tt0 -147.83 156.74 43.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.58 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -143.1 114.45 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 69' ' ' ASP . 14.2 t0 56.22 26.79 10.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 100.85 -25.17 29.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' ' 72' ' ' SER . 87.7 mt -68.72 140.66 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 0.784 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.436 ' N ' HG21 ' A' ' 71' ' ' ILE . 11.4 t -94.54 135.05 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.984 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.444 HD11 ' CG2' ' A' ' 65' ' ' ILE . 57.0 mt -117.85 33.65 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.2 t -107.09 133.8 50.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.16 35.44 91.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.524 HG22 ' CD1' ' A' ' 80' ' ' PHE . 11.5 m -130.32 144.14 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' PHE . 6.6 t -68.43 140.57 55.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' THR . 1.3 tt0 -38.64 -42.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -45.93 -46.9 16.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.539 ' CE1' HG21 ' A' ' 84' ' ' VAL . 37.3 t80 -58.43 -56.66 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.74 -46.78 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.19 -44.56 68.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -65.19 -50.01 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.539 HG21 ' CE1' ' A' ' 80' ' ' PHE . 32.5 t -55.01 -58.07 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.1 mt -51.85 -27.33 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -83.72 -24.18 31.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' VAL . 22.0 m-20 -76.55 -42.38 43.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.502 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 70.9 p -40.66 161.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.608 ' O ' ' C ' ' A' ' 90' ' ' GLY . 3.0 mmpt? -134.27 -169.39 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.36 -83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -79.38 138.71 37.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.542 HG12 ' CZ ' ' A' ' 94' ' ' PHE . 60.1 t -141.29 121.53 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.31 113.15 25.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 98.1 m-85 -106.46 117.16 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.3 t -95.17 92.36 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.409 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.9 mm -80.94 154.51 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.33 102.89 0.94 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -110.26 136.52 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 2.1 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.229 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -94.38 110.82 22.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.5 p90 -132.43 134.06 24.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.03 16.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.804 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' PHE . 21.4 t -123.52 126.14 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.39 138.51 31.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD1' HD11 ' A' ' 59' ' ' ILE . 4.7 mt -141.89 138.25 31.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 1.8 mt-10 -108.12 111.44 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 47.7 mttt -42.03 153.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.7 OUTLIER -123.39 176.59 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.51 -29.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -116.77 47.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 61.85 -148.11 47.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -66.84 -57.55 6.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.1 47.97 2.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.56 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 4.3 pt -138.2 155.21 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -112.9 147.25 37.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 85' ' ' LEU . 2.5 pt -121.33 172.42 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.413 HG12 ' CG ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -150.3 142.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.7 111.23 4.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.413 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.8 mmm -133.23 160.08 38.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.25 113.33 3.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.3 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -127.6 97.15 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' N ' ' HA2' ' A' ' 75' ' ' GLY . 4.1 tp -55.0 113.67 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -91.95 117.05 5.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 73' ' ' LEU . 21.1 mm -82.82 97.12 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 41' ' ' GLY . 90.8 m-85 -95.55 164.19 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.8 t -90.87 114.74 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -65.38 -43.06 91.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.485 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 6.4 t -170.55 179.36 3.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.412 HG13 ' CG ' ' A' ' 54' ' ' GLN . 58.3 t -130.49 129.89 64.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 m -57.9 137.04 57.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -74.29 107.01 6.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.18 29.58 12.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.46 -154.85 31.4 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.97 -44.34 9.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.56 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -71.19 -37.75 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.412 ' CG ' HG13 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.97 -64.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -45.37 -45.58 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -49.32 -56.68 8.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 93.43 0.89 66.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.59 -68.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.339 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.432 HD11 ' CD1' ' A' ' 15' ' ' LEU . 18.7 mt -68.08 126.61 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 6.4 mm-40 -113.38 175.35 5.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 61.7 t -78.07 149.0 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.5 m-80 77.68 -0.41 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 9.7 m-20 -63.3 166.4 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -125.69 122.01 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.475 ' CG2' HG21 ' A' ' 68' ' ' VAL . 5.8 mt -87.88 91.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.0 t -68.89 -37.01 76.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 71' ' ' ILE . 3.8 tt0 -151.02 149.42 29.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.594 HG23 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -134.02 109.57 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ARG . 1.7 m-20 62.63 12.46 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.74 -12.49 25.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.466 HG21 ' CG2' ' A' ' 84' ' ' VAL . 55.7 mt -86.23 127.25 40.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.753 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.82 118.7 17.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 84' ' ' VAL . 17.3 mt -102.99 17.62 23.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -112.84 142.12 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.436 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 70.04 24.9 76.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.563 ' CG2' ' CD1' ' A' ' 80' ' ' PHE . 3.0 m -126.25 154.12 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 0.729 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 78' ' ' GLN . 10.1 t -67.95 140.25 56.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 77' ' ' THR . 1.3 tm0? -36.71 -45.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.52 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.563 ' CD1' ' CG2' ' A' ' 76' ' ' VAL . 15.5 t80 -38.55 -53.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.75 -58.53 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.45 -52.37 4.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' ASN . 86.9 m -50.83 -54.23 25.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.484 ' CG1' HG12 ' A' ' 68' ' ' VAL . 95.7 t -50.68 -60.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.467 ' CD1' HG21 ' A' ' 26' ' ' ILE . 45.9 mt -55.17 -24.02 24.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 0.4 OUTLIER -85.74 -25.1 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' THR . 3.2 m-80 -82.83 -41.05 19.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.471 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 25.5 p -38.93 159.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.619 ' O ' ' C ' ' A' ' 90' ' ' GLY . 26.1 mtmt -131.34 -174.14 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.38 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -76.95 138.11 39.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.563 ' CG1' ' CZ ' ' A' ' 94' ' ' PHE . 48.9 t -142.29 123.47 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -95.57 115.16 27.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.594 ' CD1' HG23 ' A' ' 68' ' ' VAL . 99.3 m-85 -109.77 123.23 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 3.6 t -99.09 92.69 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.596 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.6 mm -79.55 151.73 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.97 104.7 1.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.86 142.99 28.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 6.8 pt-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.26 110.23 22.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 7.1 p90 -124.36 134.53 25.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 122.23 7.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.463 HG11 ' CD1' ' A' ' 59' ' ' ILE . 55.1 t -111.52 123.48 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.55 ' CG ' ' NE ' ' A' ' 93' ' ' ARG . 3.4 mt-10 -85.2 135.18 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 53' ' ' ALA . 2.9 mt -134.74 144.79 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.5 mt-10 -111.83 105.37 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 41.3 mttt -38.46 156.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' GLY . 24.8 m-20 -123.18 177.54 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -47.5 -23.6 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.71 -24.69 14.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.68 -135.63 9.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.458 ' CD2' HG22 ' A' ' 92' ' ' VAL . 53.6 mt -57.63 -55.53 33.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 0.794 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.77 50.82 4.79 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.519 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 3.4 pt -153.07 156.86 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -110.09 143.48 40.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.029 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 pt -121.66 160.6 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -138.6 141.75 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.64 114.57 5.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.446 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.3 mmm -133.26 154.86 50.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.27 104.92 3.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -124.84 97.23 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -51.18 131.55 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.442 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.33 130.17 9.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.459 HG21 ' CB ' ' A' ' 81' ' ' ALA . 12.3 mm -94.86 102.55 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 83.4 m-85 -102.62 164.2 11.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.2 t -88.78 102.72 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 27' ' ' ILE . 18.2 tttp -57.48 -39.4 76.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.475 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 5.2 t -170.66 179.49 3.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.415 ' N ' ' OG1' ' A' ' 46' ' ' THR . 91.9 t -130.33 125.6 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -59.86 133.01 55.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.86 113.73 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' NH1' ' A' ' 55' ' ' ARG . . . 88.36 29.35 19.75 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.13 -164.42 32.33 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.426 ' CB ' HD21 ' A' ' 15' ' ' LEU . . . -79.75 -57.47 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.519 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -59.27 -34.38 72.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.8 -58.64 5.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 50' ' ' GLY . 69.7 mtm-85 -49.15 -49.82 40.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -54.88 -53.41 55.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.06 -30.08 7.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.519 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -46.0 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.463 ' CD1' HG11 ' A' ' 13' ' ' VAL . 14.6 mt -67.87 129.78 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -122.64 164.25 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 96.8 t -66.28 151.27 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 13.9 m-80 78.62 -1.46 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 18.1 m-20 -64.36 170.86 3.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -128.65 115.69 18.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 27.2 mt -84.47 91.92 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.482 HG13 ' CG2' ' A' ' 74' ' ' VAL . 58.9 t -71.55 -38.13 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 6.6 tt0 -144.91 160.15 41.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.63 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.1 t -144.66 117.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.02 20.18 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.415 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.59 -28.11 11.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 56.2 mt -66.02 136.3 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 71' ' ' ILE . 33.1 t -87.02 129.25 34.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 55.9 mt -113.62 42.04 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.482 ' CG2' HG13 ' A' ' 66' ' ' VAL . 61.9 t -111.79 144.03 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.418 ' N ' HG12 ' A' ' 74' ' ' VAL . . . 47.65 44.46 23.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 74' ' ' VAL . 9.8 m -133.08 143.37 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 78' ' ' GLN . 9.8 t -67.81 140.28 56.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' THR . 3.4 tt0 -37.45 -47.37 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -52.98 4.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -52.25 -60.09 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.459 ' CB ' HG21 ' A' ' 42' ' ' ILE . . . -51.85 -48.18 64.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.35 62.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.235 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.5 m -62.18 -46.62 88.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.421 ' CG1' ' CG1' ' A' ' 68' ' ' VAL . 69.5 t -57.77 -55.76 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' ' 88' ' ' THR . 48.5 mt -53.62 -23.02 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -87.77 -25.26 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 88' ' ' THR . 13.9 m-20 -80.25 -37.94 31.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.48 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 15.3 p -38.14 157.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.2 OUTLIER -127.23 -166.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.523 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -27.57 -80.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -83.62 140.63 32.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.559 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 40.2 t -141.47 128.82 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.55 ' NE ' ' CG ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -99.94 104.33 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.63 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 95.5 m-85 -97.69 117.7 32.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.1 t -93.87 93.83 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.492 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.4 mm -80.12 155.88 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.02 111.74 1.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.45 152.16 39.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -70.75 164.28 25.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 0.802 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -61.66 148.48 42.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.73 131.59 1.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -163.06 90.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -120.41 100.3 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.91 75.02 0.43 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.402 ' CD1' ' C ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -117.86 146.99 43.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.4 tt0 -79.55 95.48 5.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.1 mt -93.78 110.91 22.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.2 p90 -131.0 135.84 27.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 134.93 18.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' PHE . 49.5 t -127.19 119.57 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.22 135.76 35.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -136.75 133.99 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -101.43 117.57 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 88' ' ' THR . 63.7 mttt -53.32 152.08 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 21' ' ' GLY . 5.7 m-20 -129.51 177.12 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 20' ' ' ASP . 0.9 OUTLIER -38.95 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.7 t70 -120.8 51.08 1.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 54.33 -136.07 43.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.31 -53.52 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.66 48.49 2.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.485 HG22 ' CB ' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -137.77 155.28 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.31 149.17 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.034 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pt -124.75 161.61 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -135.97 141.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.9 115.22 4.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.457 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 1.2 mmt -129.85 153.64 48.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.92 103.97 2.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -86.32 139.99 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.63 75.35 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.451 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -87.38 114.64 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -116.93 61.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 78.11 -79.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -128.12 0.96 6.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.3 mp -100.11 28.03 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 16.7 pt-20 -73.86 150.19 41.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -121.94 97.04 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' CD1' ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -54.0 130.48 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -112.7 119.3 4.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.3 mm -84.56 106.97 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 96.7 m-85 -107.71 163.08 13.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.8 t -88.01 108.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' N ' HG22 ' A' ' 27' ' ' ILE . 9.3 tptm -61.3 -44.82 96.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.485 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 5.1 t -169.04 177.48 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.4 ' N ' ' OG1' ' A' ' 46' ' ' THR . 98.6 t -130.26 128.47 64.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -56.95 132.32 52.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.68 95.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.89 29.48 5.81 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.2 -179.17 41.37 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.35 -42.98 82.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.485 ' CB ' HG22 ' A' ' 24' ' ' ILE . . . -72.46 -33.44 67.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.78 -64.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -42.27 -45.96 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -52.75 -56.69 13.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.99 -31.2 8.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.509 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.45 -69.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.791 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.2 mt -66.37 127.43 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.34 174.45 6.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 55.1 t -74.45 150.27 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.3 m-80 76.66 0.94 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 9.2 m-20 -62.79 164.21 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -124.77 110.8 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 68' ' ' VAL . 8.0 mt -82.13 86.96 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.449 HG12 ' CG2' ' A' ' 74' ' ' VAL . 51.3 t -63.74 -39.85 86.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.5 tt0 -143.0 158.74 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.63 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -144.15 118.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 52.46 21.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.411 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.51 -26.62 17.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.411 ' CG2' HG22 ' A' ' 84' ' ' VAL . 41.6 mt -67.18 136.11 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.73 128.62 36.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.996 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.43 HD12 ' CG2' ' A' ' 65' ' ' ILE . 34.1 mt -112.86 36.95 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.449 ' CG2' HG12 ' A' ' 66' ' ' VAL . 91.4 t -106.25 138.59 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 55.15 39.78 71.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.493 HG22 ' CD1' ' A' ' 80' ' ' PHE . 12.4 m -130.52 143.5 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 78' ' ' GLN . 6.0 t -67.68 144.2 55.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 77' ' ' THR . 22.5 tt0 -37.7 -49.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -40.49 -57.67 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.493 ' CD1' HG22 ' A' ' 76' ' ' VAL . 50.4 t80 -49.88 -57.33 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.57 -45.58 73.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.93 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.5 m -61.74 -46.79 88.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 87' ' ' ASN . 34.2 t -58.04 -58.24 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.431 ' O ' ' OG1' ' A' ' 88' ' ' THR . 51.4 mt -52.13 -22.17 3.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -22.72 22.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' VAL . 4.5 m-80 -84.04 -32.45 24.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.457 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . 12.2 p -38.73 158.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.559 ' O ' ' C ' ' A' ' 90' ' ' GLY . 33.1 mtmt -128.75 -173.61 3.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -22.5 -84.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.19 134.69 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.576 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 17.8 t -132.05 138.36 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.14 106.01 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.63 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 97.7 m-85 -100.35 121.93 42.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.4 t -99.81 93.88 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.59 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.4 mm -79.82 156.48 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -122.73 105.86 0.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.402 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -101.58 149.04 24.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 119.49 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -79.03 157.27 76.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 179.75 5.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 t -164.39 80.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.22 156.76 8.98 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.62 12.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 95.5 p -125.08 146.64 49.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -84.87 147.4 26.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.052 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' SER . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -84.38 163.11 19.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 110.035 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 m -134.35 -59.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.5 166.39 23.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.59 147.89 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 109.941 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.79 171.86 11.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.75 -81.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -109.75 146.6 34.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.3 tt0 -79.52 95.5 5.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.8 mt -94.5 111.21 22.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.06 134.26 25.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.96 17.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' PHE . 37.4 t -125.97 122.14 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -86.34 137.39 32.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' VAL . 3.3 mt -139.85 135.92 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.9 mt-10 -105.9 105.92 16.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HD2' ' C ' ' A' ' 89' ' ' LYS . 41.7 mttt -39.12 158.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.0 OUTLIER -128.1 176.43 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' ASP . 8.6 t70 -119.57 51.21 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 57.93 -146.44 39.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -70.28 -56.37 6.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.54 43.93 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.498 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -136.45 154.69 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 0.764 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.3 m -111.55 146.85 36.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.6 pt -120.37 177.95 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -154.67 143.75 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.93 114.47 5.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' GLY . 1.7 mmm -132.11 160.73 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.79 114.73 5.04 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.4 t -96.26 140.63 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.21 52.37 1.67 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -65.14 101.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -87.81 47.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 76.32 -77.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.2 -22.35 6.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.0 mt -96.85 59.74 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 13.0 pt-20 -98.76 154.48 17.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -127.5 96.89 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.8 tp -53.22 125.8 18.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -107.32 122.08 6.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.0 mm -83.64 115.09 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 91.9 m-85 -114.57 164.08 14.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.549 ' CG2' ' OD1' ' A' ' 63' ' ' ASP . 14.6 t -89.31 104.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' N ' HG22 ' A' ' 27' ' ' ILE . 14.6 tttt -56.1 -46.29 79.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.429 ' HG1' ' N ' ' A' ' 47' ' ' VAL . 2.2 t -170.25 171.78 6.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 110.348 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.429 ' N ' ' HG1' ' A' ' 46' ' ' THR . 76.5 t -123.29 121.89 63.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -51.26 142.71 12.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -69.94 103.01 2.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.79 14.97 47.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.93 177.17 31.85 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 22' ' ' LEU . . . -68.96 -37.57 78.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -78.28 -24.23 46.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.52 -61.74 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NH2' ' OD2' ' A' ' 18' ' ' ASP . 25.2 mtm105 -52.79 -39.08 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -47.98 -54.4 13.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.458 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 89.15 -5.73 84.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.48 -67.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.8 mt -67.93 129.01 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.463 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 10.4 mm-40 -115.51 177.82 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 61.6 t -83.17 146.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.2 m-80 77.46 10.4 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.549 ' OD1' ' CG2' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -71.06 175.51 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.415 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 15.9 tt0 -131.11 113.34 13.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.435 ' CG2' HG21 ' A' ' 68' ' ' VAL . 9.4 mt -84.13 87.27 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.452 HG11 ' CG2' ' A' ' 74' ' ' VAL . 47.8 t -65.43 -39.57 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 9.4 tt0 -144.2 157.68 44.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.6 HG23 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.07 118.47 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 52.31 21.87 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.32 -27.56 15.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 84' ' ' VAL . 70.3 mt -66.06 136.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 71' ' ' ILE . 7.1 t -91.54 115.16 27.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 38.0 mt -98.63 35.88 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.452 ' CG2' HG11 ' A' ' 66' ' ' VAL . 94.3 t -102.86 143.15 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.419 ' N ' HG11 ' A' ' 74' ' ' VAL . . . 48.23 45.8 27.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.473 ' CG2' ' CD2' ' A' ' 80' ' ' PHE . 5.8 m -132.31 148.37 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.804 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.474 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 t -68.72 142.5 54.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 77' ' ' THR . 23.3 tt0 -36.69 -48.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -44.4 -66.19 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CD2' ' CG2' ' A' ' 76' ' ' VAL . 70.1 t80 -36.1 -57.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.9 -48.14 76.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' ASN . . . -52.38 -43.43 64.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 42.8 m -64.59 -52.01 59.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 71' ' ' ILE . 91.5 t -51.75 -55.53 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.8 mt -53.56 -28.25 30.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -84.87 -21.69 29.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 88' ' ' THR . 5.8 m-80 -78.69 -48.15 15.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.478 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 15.9 p -39.83 160.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.625 ' O ' ' C ' ' A' ' 90' ' ' GLY . 13.7 mtmt -129.8 -174.9 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.625 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -15.09 -82.42 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -76.16 136.37 39.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.654 ' CG1' ' CZ ' ' A' ' 94' ' ' PHE . 61.3 t -140.65 129.5 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 104.6 15.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.654 ' CZ ' ' CG1' ' A' ' 92' ' ' VAL . 98.5 m-85 -101.14 121.21 41.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.5 t -99.34 92.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.9 mm -80.14 154.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.67 106.28 1.21 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.409 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -100.06 146.61 26.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.293 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.06 114.44 10.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -73.58 157.34 87.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.38 15.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.46 76.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 135.54 173.89 13.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -179.2 4.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.6 -58.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 t -57.21 125.78 24.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.133 . . . . 0.0 111.034 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 p -78.68 163.14 25.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.45 165.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.26 149.84 21.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.94 162.24 20.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -44.86 107.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.05 72.46 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 99' ' ' GLU . 1.6 mm? -110.89 152.2 26.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 7.4 pt-20 -100.79 111.62 23.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.57 111.04 23.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.562 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 5.3 p90 -126.43 135.4 27.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.85 14.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' PHE . 46.7 t -123.67 118.24 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.31 128.99 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -128.31 127.52 42.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -94.37 98.63 11.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 90' ' ' GLY . 2.5 mtpt -39.05 155.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -120.72 175.95 5.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -48.44 -22.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.71 -24.69 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 125.21 -135.45 9.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 13.9 mt -74.09 -53.18 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.07 53.15 3.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.468 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -149.69 163.55 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.6 m -116.35 148.55 40.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 pt -126.25 159.34 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -138.13 141.25 38.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.65 117.32 5.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.452 ' N ' HD11 ' A' ' 40' ' ' LEU . 1.3 mmm -133.83 155.37 49.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.02 107.23 3.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 41' ' ' GLY . 1.8 t -88.26 143.1 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.13 70.03 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.6 99.58 11.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -97.27 36.9 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 52.1 52.93 13.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.63 -45.36 0.6 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.7 mt -104.76 61.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.753 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -102.25 142.28 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -126.71 96.88 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -50.57 129.85 23.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -112.09 130.08 9.42 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.474 HG22 ' CB ' ' A' ' 81' ' ' ALA . 15.7 mm -93.26 96.86 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' ILE . 89.7 m-85 -98.67 163.77 12.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.7 t -92.8 114.41 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -67.77 -39.51 84.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.47 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 2.6 t -170.45 173.02 5.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.404 ' N ' ' HG1' ' A' ' 46' ' ' THR . 78.4 t -124.11 124.23 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -50.79 149.65 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -79.07 108.79 12.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.06 8.82 68.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.87 -172.72 6.65 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 22' ' ' LEU . . . -73.43 -59.33 2.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -56.4 -28.27 58.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.34 -63.37 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -48.28 -41.09 27.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -56.71 -56.95 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.53 -29.02 10.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.51 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.4 -70.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.3 mt -67.35 133.4 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -129.64 149.06 51.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 96.2 t -40.43 149.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 8.0 m-80 76.51 1.04 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.502 ' OD1' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -63.44 144.03 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 27.0 tt0 -110.4 108.67 18.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.482 ' CG2' HG22 ' A' ' 68' ' ' VAL . 22.9 mt -80.54 85.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.478 HG13 ' CG2' ' A' ' 74' ' ' VAL . 59.2 t -63.19 -38.62 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.3 tt0 -143.5 157.29 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.604 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.72 118.76 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 51.97 20.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.408 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.92 -27.84 12.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.45 ' CD1' HG11 ' A' ' 84' ' ' VAL . 63.7 mt -66.37 136.09 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.401 ' N ' HG21 ' A' ' 71' ' ' ILE . 7.5 t -91.84 129.07 37.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.0 mt -112.91 39.9 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.478 ' CG2' HG13 ' A' ' 66' ' ' VAL . 99.4 t -111.05 138.0 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.24 38.87 88.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 10.5 m -132.83 146.98 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' GLN . 6.0 t -67.77 140.43 56.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' THR . 2.1 tt0 -37.5 -46.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -43.55 -54.71 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -50.14 -57.11 8.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.474 ' CB ' HG22 ' A' ' 42' ' ' ILE . . . -54.33 -49.38 69.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.17 56.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.3 m -62.66 -51.52 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.448 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.45 HG11 ' CD1' ' A' ' 71' ' ' ILE . 72.7 t -52.77 -55.04 13.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.6 mt -53.98 -25.54 21.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -87.59 -19.96 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -80.72 -38.55 28.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.506 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 80.3 p -42.18 164.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.554 ' O ' ' C ' ' A' ' 90' ' ' GLY . 3.0 mtmp? -132.81 -168.32 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -23.58 -82.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.58 135.83 34.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 0.728 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.506 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 18.9 t -135.91 139.92 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 107.79 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.604 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 97.8 m-85 -102.07 122.48 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.4 t -99.27 94.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.562 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.9 mm -79.52 153.22 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -124.57 105.1 0.84 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -115.31 156.8 24.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.44 ' N ' HD11 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -70.42 133.33 46.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' HG2' ' HB3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -125.91 158.22 66.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 132.58 15.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.8 p -133.49 78.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.91 -146.04 17.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.29 6.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.2 t -135.41 160.05 39.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.73 144.57 26.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.74 158.88 26.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.798 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.58 159.79 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.29 88.81 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.11 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.87 173.68 11.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -56.91 -60.56 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 37.98 62.95 0.96 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' CD1' ' C ' ' A' ' 97' ' ' GLY . 0.2 OUTLIER -123.69 148.34 46.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -80.07 94.74 6.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -92.98 110.48 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 25.1 p90 -131.22 136.82 29.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.497 ' CG2' ' HG3' ' A' ' 58' ' ' ARG . 42.4 t -116.0 118.11 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.87 139.41 34.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD11 ' CD1' ' A' ' 59' ' ' ILE . 6.5 mt -141.99 143.2 33.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.76 108.27 17.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 26.9 mttt -40.06 156.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.504 ' OD1' ' CB ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -123.44 176.73 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -50.3 -20.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -106.2 -22.86 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 125.18 -139.76 11.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.8 mt -69.31 -54.93 12.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.96 47.04 5.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.591 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 10.2 pt -138.54 152.28 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 0.8 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.15 143.6 42.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.443 HG22 ' CD1' ' A' ' 85' ' ' LEU . 1.7 pt -120.31 175.73 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.42 HG12 ' CG ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -153.13 137.63 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.78 112.19 4.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.42 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.9 mmm -133.29 160.83 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.1 111.69 3.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.6 t -92.99 141.07 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.23 72.88 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.93 106.13 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.734 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -99.08 37.25 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 50.59 56.86 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 149.79 -48.49 0.59 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.13 61.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -101.69 143.75 31.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.74 97.01 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 6.1 tp -51.29 124.13 11.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -105.63 118.85 5.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.5 mm -83.54 101.74 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.412 ' CD2' ' O ' ' A' ' 41' ' ' GLY . 91.1 m-85 -100.22 162.22 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' ASP . 13.0 t -90.71 102.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -54.34 -44.23 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.485 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 4.2 t -170.83 177.84 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 110.401 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.419 ' N ' ' OG1' ' A' ' 46' ' ' THR . 74.8 t -125.91 129.5 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -58.0 134.01 56.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -70.75 106.07 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.55 29.07 10.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.72 -170.08 35.59 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.504 ' CB ' ' OD1' ' A' ' 18' ' ' ASP . . . -72.3 -52.92 14.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.591 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -61.76 -40.0 93.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -61.6 -68.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -43.22 -47.67 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -49.52 -56.59 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 91.35 8.93 63.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.497 ' HG3' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -91.07 -67.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 0.788 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.43 ' CD1' HD11 ' A' ' 15' ' ' LEU . 13.7 mt -68.79 118.81 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 22.2 mm-40 -104.84 174.83 5.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 55.1 t -76.81 150.94 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 7.9 m-80 75.75 1.46 3.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' HB3' ' CG2' ' A' ' 96' ' ' ILE . 19.3 m-20 -65.0 152.41 43.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -112.94 111.22 21.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.45 ' CG2' HG22 ' A' ' 68' ' ' VAL . 23.9 mt -78.66 91.3 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.6 t -68.6 -38.67 79.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 10.4 tt0 -145.77 156.82 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.614 HG21 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -141.95 116.75 5.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 53.35 20.39 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.413 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.75 -29.23 9.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.473 ' CD1' HG12 ' A' ' 84' ' ' VAL . 61.3 mt -66.13 137.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.413 ' N ' HG21 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -92.08 125.05 36.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 66.7 mt -108.55 39.96 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 75' ' ' GLY . 90.7 t -110.41 142.04 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.423 ' N ' HG13 ' A' ' 74' ' ' VAL . . . 50.36 46.16 44.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.404 ' CG2' ' CD1' ' A' ' 80' ' ' PHE . 4.4 m -135.17 151.54 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.481 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.0 t -68.59 140.46 55.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -39.12 -41.12 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.26 -58.43 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.404 ' CD1' ' CG2' ' A' ' 76' ' ' VAL . 51.9 t80 -42.76 -56.64 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.09 -48.8 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.18 -44.08 64.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.3 m -63.02 -52.96 60.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 71' ' ' ILE . 72.3 t -52.66 -54.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' CD1' HG22 ' A' ' 26' ' ' ILE . 38.2 mt -55.48 -23.65 27.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 mtp85 -89.92 -20.21 23.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' THR . 3.4 m-80 -79.16 -41.33 28.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.501 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 68.7 p -44.12 168.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.424 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.633 ' O ' ' C ' ' A' ' 90' ' ' GLY . 15.5 mtmt -138.66 -171.14 3.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.633 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -14.5 -84.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.27 139.41 35.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.509 ' CG1' ' CZ ' ' A' ' 94' ' ' PHE . 44.3 t -141.55 128.16 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -99.88 109.69 22.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.614 ' CD1' HG21 ' A' ' 68' ' ' VAL . 98.5 m-85 -104.08 120.37 40.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 3.2 t -96.51 95.5 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.8 mm -82.59 157.63 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 8' ' ' LEU . . . -119.56 103.87 1.0 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.436 ' HD2' ' CE1' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -95.46 153.88 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.07 114.15 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -72.3 157.93 88.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.25 8.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.7 t -164.37 77.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.63 162.25 9.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 169.41 22.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.8 147.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 71.1 m -66.35 140.85 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.59 162.67 13.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.978 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 51.96 99.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.2 -100.95 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -66.43 163.73 17.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.2 153.1 31.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.046 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.48 68.71 0.77 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.07 162.47 19.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.4 tt0 -96.06 96.16 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -92.9 111.53 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.2 p90 -133.2 134.71 24.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 135.93 19.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' PHE . 46.6 t -128.28 119.98 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.54 133.61 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD1' HD13 ' A' ' 59' ' ' ILE . 1.7 mt -134.29 134.86 42.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.48 122.77 44.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 57.3 mttt -60.99 150.96 31.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -125.34 175.44 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.29 -28.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.0 t70 -118.04 51.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 56.01 -142.94 37.81 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mt -71.14 -57.09 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.6 50.36 1.69 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.536 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -142.98 157.96 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 m -110.13 153.97 23.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 85' ' ' LEU . 2.1 pt -132.67 155.93 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -133.77 141.19 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.83 117.38 5.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.452 ' N ' HD11 ' A' ' 40' ' ' LEU . 1.1 mmm -133.71 155.26 50.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.26 104.0 2.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.42 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -84.06 139.86 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.22 71.17 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.57 100.38 12.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.69 23.92 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 63.16 46.84 4.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.5 -36.23 0.59 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.2 24.36 11.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.777 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.81 133.88 43.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -126.91 96.9 4.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -47.66 131.57 14.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.42 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -115.35 121.26 5.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.4 mm -85.91 104.46 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.797 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 90.0 m-85 -104.77 163.84 12.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.7 t -88.09 110.04 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' N ' HG21 ' A' ' 27' ' ' ILE . 11.5 tptm -63.51 -41.58 98.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.494 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 4.5 t -170.14 177.83 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.41 ' N ' ' OG1' ' A' ' 46' ' ' THR . 79.9 t -131.63 122.57 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -54.28 133.83 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.36 95.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.55 16.09 12.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.25 173.66 54.38 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.82 -45.66 91.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.536 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -66.48 -34.09 77.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.48 -59.76 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -46.76 -48.74 20.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -53.17 -51.81 60.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.59 -32.39 5.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -48.13 -67.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.432 HD13 ' CD1' ' A' ' 15' ' ' LEU . 70.2 mt -67.29 130.25 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -123.5 168.04 13.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.494 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 82.8 t -69.97 152.35 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.6 m-80 77.34 -0.6 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 26.5 m-20 -65.18 169.3 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -129.3 112.29 13.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.489 ' CG2' HG21 ' A' ' 68' ' ' VAL . 8.5 mt -80.93 89.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.0 t -66.67 -38.68 82.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.4 tt0 -145.66 158.59 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.624 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.3 118.66 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 52.05 21.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.408 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.71 -27.89 12.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 72' ' ' SER . 62.6 mt -65.7 136.71 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.416 ' N ' HG21 ' A' ' 71' ' ' ILE . 4.3 t -92.12 121.33 33.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.464 ' CD2' HG22 ' A' ' 84' ' ' VAL . 78.7 mt -104.7 37.47 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.0 t -107.3 140.04 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 54.2 42.42 72.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.471 ' CG2' ' CD2' ' A' ' 80' ' ' PHE . 10.2 m -135.73 144.21 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 78' ' ' GLN . 6.0 t -67.92 142.83 55.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.392 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -36.82 -48.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -41.48 -62.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.471 ' CD2' ' CG2' ' A' ' 76' ' ' VAL . 51.4 t80 -43.49 -52.75 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.06 -55.91 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -41.71 -49.84 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 87' ' ' ASN . 52.9 m -55.79 -52.78 62.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.547 ' CG1' ' CG1' ' A' ' 68' ' ' VAL . 90.4 t -52.09 -53.76 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.475 ' CD1' HG23 ' A' ' 26' ' ' ILE . 24.4 mt -61.62 -20.66 63.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 3.9 ttt180 -87.99 -26.73 22.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' THR . 19.7 m-80 -81.16 -38.2 27.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.466 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . 2.2 p -37.18 155.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.599 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.4 mptt -126.37 -175.48 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.12 -80.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -82.36 141.31 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 0.806 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 44.5 t -141.63 131.13 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.46 105.42 16.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.624 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 95.6 m-85 -99.91 122.24 42.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.7 t -100.04 93.37 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.598 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.6 mm -79.91 157.77 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -123.5 103.96 0.82 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.88 154.36 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.2 125.72 27.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -81.19 157.92 70.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 124.16 8.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.8 m -150.86 88.71 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.95 -120.26 2.9 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 176.16 10.28 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.8 p -150.6 -58.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.95 104.35 16.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.933 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 p -98.76 145.19 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.029 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -74.48 151.16 39.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.47 -143.34 4.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.03 -64.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -72.18 136.98 46.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.947 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.69 76.97 0.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' CD1' ' C ' ' A' ' 97' ' ' GLY . 0.3 OUTLIER -126.87 148.2 50.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.1 tt0 -81.46 94.74 6.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.5 110.76 22.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.3 p90 -131.58 133.7 24.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.86 15.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' PHE . 24.1 t -122.19 117.6 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -81.74 119.79 24.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.462 HD13 ' CB ' ' A' ' 53' ' ' ALA . 4.0 mt -119.97 137.93 53.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -105.37 108.48 20.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 31.5 mttt -38.85 156.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' GLY . 14.4 m-20 -124.07 176.22 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -48.47 -22.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.8 -24.01 13.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.93 -131.77 8.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.0 mt -69.05 -53.68 19.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.07 48.44 6.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.434 1.084 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.524 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 5.7 pt -145.35 157.99 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.41 150.94 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 pt -128.54 167.92 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.55 142.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.56 113.88 4.74 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.2 mmm -132.51 161.95 32.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.82 108.62 2.78 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.557 1.161 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.2 t -90.87 139.72 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.92 75.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.59 103.98 13.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.314 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.34 40.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 47.53 56.36 7.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.88 -52.45 0.42 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.7 mt -102.06 61.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -98.16 139.98 33.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -127.62 97.01 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.4 tp -52.11 122.94 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.47 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -105.12 118.92 6.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.421 HG23 ' CB ' ' A' ' 81' ' ' ALA . 17.5 mm -83.01 109.45 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CD2' ' O ' ' A' ' 41' ' ' GLY . 94.3 m-85 -108.33 163.53 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.5 t -88.49 109.19 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -62.09 -41.95 98.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.477 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 3.2 t -169.99 178.6 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.438 ' N ' ' OG1' ' A' ' 46' ' ' THR . 95.9 t -128.39 127.31 67.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -57.3 134.95 56.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.427 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -74.69 99.85 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.06 41.47 2.61 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.2 -164.4 20.26 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.428 ' N ' ' OD2' ' A' ' 18' ' ' ASP . . . -81.35 -51.44 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.234 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.524 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -61.63 -42.9 99.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -61.17 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtm-85 -45.35 -50.81 11.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.37 -51.48 54.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.37 9.07 70.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.457 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -85.65 -66.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.445 ' CD1' HD11 ' A' ' 15' ' ' LEU . 22.1 mt -68.49 119.81 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 6.4 mm-40 -106.7 174.95 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 55.5 t -78.87 148.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.5 m-80 77.03 0.83 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -63.88 172.24 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -129.41 116.35 18.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.6 mt -84.02 91.43 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.88 -45.21 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 2.5 tt0 -141.06 158.84 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.614 HG21 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.66 119.11 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.444 ' OD2' HD13 ' A' ' 71' ' ' ILE . 0.8 OUTLIER 53.81 19.7 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.412 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.11 -26.77 14.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.444 HD13 ' OD2' ' A' ' 69' ' ' ASP . 81.2 mt -66.71 147.45 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t -100.24 124.63 45.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.9 mt -107.16 36.68 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 75' ' ' GLY . 95.1 t -107.97 140.6 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.409 ' N ' HG11 ' A' ' 74' ' ' VAL . . . 53.1 42.84 62.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.8 m -132.43 148.41 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.475 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 4.8 t -68.72 142.89 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' THR . 7.9 tt0 -38.74 -45.98 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -44.23 -62.01 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -42.22 -58.49 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 111.038 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' CB ' HG23 ' A' ' 42' ' ' ILE . . . -50.53 -41.64 54.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.501 ' O ' ' CD ' ' A' ' 86' ' ' ARG . . . -61.59 -39.86 92.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -68.29 -52.42 33.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 71' ' ' ILE . 81.9 t -52.65 -54.85 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.3 mt -54.96 -26.88 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -85.45 -21.57 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -77.13 -41.83 40.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.516 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 70.7 p -42.35 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.62 ' O ' ' C ' ' A' ' 90' ' ' GLY . 52.2 mmtt -137.67 -168.22 2.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.14 -85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.03 140.22 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.516 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 21.3 t -138.35 136.47 44.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.94 109.43 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.614 ' CD1' HG21 ' A' ' 68' ' ' VAL . 99.4 m-85 -104.42 122.91 46.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 5.5 t -100.78 93.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.595 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 mm -80.06 155.19 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 8' ' ' LEU . . . -119.49 107.69 1.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.23 146.27 27.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.74 119.4 14.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -78.9 157.92 75.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.17 39.25 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.3 p 178.88 69.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.9 -178.14 48.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -58.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.3 m -158.62 162.82 37.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -113.41 140.66 47.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -117.73 147.26 43.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.82 167.6 29.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.25 179.48 20.75 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.07 155.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 p -155.11 178.46 10.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.59 -84.04 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 97' ' ' GLY . 0.3 OUTLIER -97.21 163.13 13.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.5 tt0 -101.46 99.43 9.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.87 111.01 22.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.087 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 14.2 p90 -131.26 131.97 23.38 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -75.03 125.21 9.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.569 1.826 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.486 HG11 ' CB ' ' A' ' 58' ' ' ARG . 24.8 t -116.86 120.16 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.29 139.49 35.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mt -141.4 138.25 32.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -104.19 110.46 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 27.1 mttt -40.39 155.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -122.33 176.44 5.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -49.65 -21.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -103.95 -23.02 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.3 -137.76 11.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 45.5 mt -62.48 -51.5 67.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 0.806 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.71 55.18 3.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.49 HG22 ' CB ' ' A' ' 53' ' ' ALA . 1.2 pt -155.06 160.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 m -116.09 144.58 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.01 163.16 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.9 tt -141.3 143.89 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.86 112.81 4.54 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.448 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -132.4 140.38 48.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.974 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.86 111.23 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 41' ' ' GLY . 1.5 t -92.95 140.66 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.09 78.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.7 101.73 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -98.84 29.72 3.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.31 53.93 5.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.79 -32.98 1.18 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD11 ' N ' ' A' ' 37' ' ' LEU . 4.0 mp -110.82 46.15 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -92.53 135.84 33.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -126.83 97.04 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.444 HD13 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -48.65 131.69 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -114.14 120.26 5.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.4 mm -84.07 104.7 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.448 ' CE2' ' HB2' ' A' ' 29' ' ' MET . 94.0 m-85 -103.27 163.29 12.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 63' ' ' ASP . 28.5 t -91.2 106.1 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -61.6 -41.38 97.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.474 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 4.6 t -170.57 170.24 6.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.8 t -122.47 121.3 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.48 142.06 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.77 115.57 14.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.08 29.24 51.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.25 -155.5 31.21 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 22' ' ' LEU . . . -86.31 -61.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.49 ' CB ' HG22 ' A' ' 24' ' ' ILE . . . -59.85 -25.11 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -69.63 -60.86 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -49.07 -50.64 35.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -49.88 -56.52 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.33 -22.39 41.05 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.486 ' CB ' HG11 ' A' ' 13' ' ' VAL . 4.5 mmm180 -59.74 -65.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.53 HD13 ' CG ' ' A' ' 94' ' ' PHE . 33.5 mt -68.44 101.29 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.458 ' N ' ' OD2' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -98.41 171.94 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 54.5 t -69.36 148.9 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.3 m-80 76.75 0.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 60' ' ' GLN . 12.0 m-20 -65.82 148.95 50.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -110.76 113.26 25.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.462 ' CG2' HG22 ' A' ' 68' ' ' VAL . 9.2 mt -80.87 92.38 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.8 t -68.91 -38.69 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 5.7 tt0 -145.89 158.77 43.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.612 HG21 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.58 117.79 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.69 21.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.429 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.96 -27.97 12.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.475 HG22 ' CG1' ' A' ' 84' ' ' VAL . 70.9 mt -65.94 137.73 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.429 ' N ' HG23 ' A' ' 71' ' ' ILE . 4.1 t -91.47 126.26 36.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.9 mt -110.93 39.36 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.6 t -111.94 134.87 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.34 37.66 94.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.448 ' CG2' ' CD2' ' A' ' 80' ' ' PHE . 10.6 m -130.62 145.4 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' GLN . 8.0 t -68.14 141.15 56.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.401 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -35.95 -48.25 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -42.21 -59.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.448 ' CD2' ' CG2' ' A' ' 76' ' ' VAL . 66.4 t80 -46.23 -56.98 4.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.14 -48.03 68.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.81 -44.53 66.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -64.68 -49.02 72.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.475 ' CG1' HG22 ' A' ' 71' ' ' ILE . 73.9 t -54.82 -54.75 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.4 mt -54.14 -27.04 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -83.83 -23.33 31.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 88' ' ' THR . 5.5 m-80 -75.11 -45.75 39.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.509 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 69.0 p -39.77 160.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 90' ' ' GLY . 10.0 mmtp -132.48 -170.77 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.13 -82.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -81.93 137.74 35.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.509 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 38.6 t -139.27 132.3 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.407 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -102.79 104.71 15.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.612 ' CD1' HG21 ' A' ' 68' ' ' VAL . 94.3 m-85 -98.1 121.18 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 7.1 t -98.85 92.81 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.1 mm -81.66 156.38 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.45 ' C ' ' CD1' ' A' ' 8' ' ' LEU . . . -116.39 102.49 1.06 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.554 ' HD2' ' CE1' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -91.54 150.89 20.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.763 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.33 114.76 20.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -76.2 156.77 83.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.67 5.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.5 m 70.95 56.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.03 -153.79 13.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 88.79 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.5 t -154.64 147.11 24.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -89.1 147.95 23.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -70.38 161.29 30.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.049 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.71 157.26 18.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.47 -153.63 29.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.172 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -177.8 -60.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.06 109.02 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.08 79.55 0.27 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' CD1' ' C ' ' A' ' 97' ' ' GLY . 0.3 OUTLIER -125.36 149.98 47.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.5 tt0 -81.24 94.62 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 mt -93.47 111.24 22.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 23.4 p90 -132.92 132.43 22.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.82 12.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.752 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.477 HG13 ' CD1' ' A' ' 59' ' ' ILE . 31.4 t -119.2 123.25 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -81.74 136.27 35.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 HD12 ' CE2' ' A' ' 94' ' ' PHE . 1.7 mt -136.28 132.18 35.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.95 98.3 9.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' CG ' HD21 ' A' ' 22' ' ' LEU . 1.4 mtpt -40.65 159.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' GLY . 12.8 m-20 -122.18 176.44 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -49.18 -22.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 15.7 t0 -100.19 -25.17 14.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 126.46 -141.3 12.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.466 HD21 ' CG ' ' A' ' 17' ' ' LYS . 29.8 mt -63.07 -53.78 48.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.02 43.17 6.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.49 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 1.3 pt -143.85 165.0 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -119.69 145.58 46.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.983 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.405 HG21 ' CD1' ' A' ' 85' ' ' LEU . 2.1 pt -118.36 179.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.473 HG12 ' CG ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -155.69 139.18 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.23 109.39 3.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.6 mmm -129.82 160.85 32.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.0 111.88 3.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' ALA . 1.4 t -80.21 -155.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . -35.92 95.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . -126.28 104.78 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -94.98 30.8 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.05 54.84 3.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.25 -51.05 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.35 47.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 17.1 pt-20 -64.83 131.89 48.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -127.5 110.1 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -70.53 116.1 10.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.5 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -96.55 121.71 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.8 111.09 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 77.0 m-85 -109.02 164.79 12.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.531 ' CG2' ' OD1' ' A' ' 63' ' ' ASP . 44.2 t -88.42 106.15 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' N ' HG21 ' A' ' 27' ' ' ILE . 44.4 tptt -58.32 -42.2 86.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.474 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 6.7 t -170.83 176.44 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.2 t -129.38 123.75 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -59.58 134.77 57.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.97 108.28 5.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.67 14.93 35.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.24 -165.17 37.41 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.3 -57.53 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.49 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -56.98 -33.95 67.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -64.81 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -41.02 -46.64 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -60.42 -49.02 79.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 90.07 -36.77 3.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -38.38 -67.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.276 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.477 ' CD1' HG13 ' A' ' 13' ' ' VAL . 6.8 mt -67.43 136.12 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 10.3 mm-40 -120.35 177.08 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.352 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 55.0 t -84.96 147.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 12.8 m-80 78.29 2.7 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.531 ' OD1' ' CG2' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -64.99 179.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.46 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 13.3 tt0 -131.71 113.98 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.455 ' CG2' HD12 ' A' ' 73' ' ' LEU . 10.6 mt -85.14 86.71 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.466 HG11 ' CG2' ' A' ' 74' ' ' VAL . 53.2 t -63.85 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 2.5 tt0 -145.68 159.5 43.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.36 113.29 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 93' ' ' ARG . 12.2 t0 57.43 26.58 12.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 102.58 -27.35 20.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.45 ' CD1' HG13 ' A' ' 84' ' ' VAL . 97.6 mt -65.91 141.52 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -96.91 121.98 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 HD12 ' CG2' ' A' ' 65' ' ' ILE . 14.8 mt -105.53 26.66 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.466 ' CG2' HG11 ' A' ' 66' ' ' VAL . 71.0 t -104.22 132.72 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.41 33.08 83.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.485 HG21 ' CD1' ' A' ' 80' ' ' PHE . 6.0 m -129.29 150.65 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.2 t -68.51 140.62 55.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -40.83 -35.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.5 -54.27 45.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.485 ' CD1' HG21 ' A' ' 76' ' ' VAL . 22.7 t80 -48.36 -55.08 11.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.67 -47.26 73.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.94 77.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.9 m -61.87 -48.56 79.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' ASN . 39.6 t -56.35 -57.61 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 88' ' ' THR . 57.2 mt -51.63 -25.39 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -86.0 -23.47 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' VAL . 6.2 m-80 -80.62 -35.81 33.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.494 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 44.0 p -43.59 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 90' ' ' GLY . 2.0 mmpt? -134.19 -169.38 2.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -23.95 -82.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.16 137.67 35.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.494 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 22.8 t -141.02 132.46 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -100.15 124.84 46.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.658 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 80.3 m-85 -114.78 121.04 42.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 4.8 t -96.46 91.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.587 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.3 mm -80.28 154.25 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.41 ' C ' ' CD1' ' A' ' 8' ' ' LEU . . . -119.97 108.43 1.46 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.98 148.56 26.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 114.05 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.35 157.43 90.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 177.52 8.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.441 1.758 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -173.16 77.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.17 149.47 5.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 169.77 21.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.88 107.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 m -113.14 104.02 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -121.66 135.35 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.003 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 63.03 167.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.85 -156.05 32.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 t -87.43 -45.97 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.761 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -136.79 110.38 8.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.74 77.55 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' CD1' ' C ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -116.6 161.71 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.7 tt0 -95.18 96.6 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.86 111.29 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.603 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 21.6 p90 -133.95 134.21 22.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.38 14.24 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.423 1.749 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' PHE . 21.8 t -121.45 128.49 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.472 ' CG ' ' NE ' ' A' ' 93' ' ' ARG . 6.9 mt-10 -86.44 145.53 26.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mt -150.42 135.93 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.35 123.3 47.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 88' ' ' THR . 65.9 mttt -56.68 149.22 18.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' GLY . 6.0 m-20 -124.81 176.25 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -39.52 -29.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ASP . 33.9 t0 -118.43 51.36 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 53.5 -137.15 39.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 17' ' ' LYS . 2.8 mt -75.16 -53.0 9.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.3 49.32 3.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.53 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -138.51 152.98 25.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 0.731 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -109.0 140.67 42.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 pt -116.18 158.39 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.467 HG12 ' CG ' ' A' ' 29' ' ' MET . 0.7 OUTLIER -135.66 135.35 51.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.87 107.93 3.61 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.467 ' CG ' HG12 ' A' ' 27' ' ' ILE . 2.1 mmm -128.64 160.96 30.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.91 112.4 4.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -96.31 135.83 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.79 75.03 0.08 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' HB2' ' CB ' ' A' ' 38' ' ' GLU . . . -117.26 100.76 7.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -94.0 27.41 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 63.06 51.77 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.93 -49.88 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.99 39.84 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 20.2 pt-20 -63.37 126.45 27.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -127.59 99.4 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.27 129.04 40.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -106.37 126.0 8.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.7 mm -87.72 100.16 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -101.95 163.85 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG2' ' OD2' ' A' ' 63' ' ' ASP . 21.3 t -92.1 101.67 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' N ' HG22 ' A' ' 27' ' ' ILE . 2.9 tttm -55.45 -42.76 74.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.48 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 3.6 t -170.75 171.4 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.6 t -125.41 123.22 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -50.91 138.71 18.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -72.22 115.74 11.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 37.57 16.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.36 -169.57 28.01 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.01 -38.99 30.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.53 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -74.94 -33.01 61.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -66.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -42.52 -37.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -56.59 -56.59 19.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.45 -36.0 4.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.506 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -47.31 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 0.805 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.403 ' CD1' HG11 ' A' ' 13' ' ' VAL . 11.9 mt -67.8 131.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 12.8 mt-30 -130.44 150.76 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 90.2 t -42.35 150.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.8 m-80 76.97 0.7 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -64.22 142.11 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.479 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 32.0 tt0 -110.01 106.61 16.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.492 ' CG2' HG23 ' A' ' 68' ' ' VAL . 11.9 mt -79.37 88.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.89 -36.79 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.5 tt0 -144.26 158.64 43.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.558 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.35 117.66 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 53.06 21.16 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.76 -28.58 11.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 84' ' ' VAL . 36.0 mt -66.03 136.16 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -89.56 136.5 32.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 57.9 mt -121.54 41.88 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.6 t -110.88 131.59 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.27 81.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 m -118.2 145.85 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.746 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' GLN . 3.1 t -68.79 140.52 55.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' THR . 4.4 tt0 -38.68 -42.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -51.69 -58.2 7.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 4.6 t80 -45.08 -54.9 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' ALA . . . -52.91 -57.95 8.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' ALA . . . -40.02 -50.76 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' ASN . 85.7 m -55.22 -51.95 64.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.459 HG23 ' CG2' ' A' ' 71' ' ' ILE . 25.0 t -53.17 -57.76 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' A' ' 88' ' ' THR . 33.7 mt -58.26 -19.92 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.43 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 1.7 ttt180 -89.28 -25.6 21.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.0 m-80 -81.73 -35.71 29.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.465 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 1.9 p -40.11 161.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.579 ' O ' ' C ' ' A' ' 90' ' ' GLY . 5.7 mmpt? -133.17 -170.61 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -20.27 -82.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -80.68 140.19 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.583 ' CG1' ' CZ ' ' A' ' 94' ' ' PHE . 47.3 t -141.61 117.97 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.472 ' NE ' ' CG ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -91.57 110.99 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.583 ' CZ ' ' CG1' ' A' ' 92' ' ' VAL . 97.2 m-85 -104.6 123.71 48.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.6 t -98.81 93.99 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.603 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.4 mm -79.58 156.2 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.66 102.4 0.66 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.413 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -105.38 154.28 20.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.59 123.44 21.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -78.43 157.98 76.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 126.09 9.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.35 80.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.33 168.8 11.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.1 p -135.65 135.37 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.7 m -113.12 147.18 37.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -85.06 127.66 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.98 144.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.76 158.57 7.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.68 121.42 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -179.59 91.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.58 91.0 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.52 ' CD2' ' C ' ' A' ' 97' ' ' GLY . 0.1 OUTLIER -127.98 -169.89 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.7 tt0 -115.08 96.05 5.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 mt -93.34 110.84 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 21.3 p90 -127.88 132.46 24.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -75.01 130.97 13.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' PHE . 40.7 t -122.36 119.07 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.77 134.8 35.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.451 HD13 ' CD2' ' A' ' 94' ' ' PHE . 6.9 mt -135.15 143.26 46.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.1 mt-10 -108.09 109.49 20.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.442 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 29.4 mttt -38.5 152.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' GLY . 3.0 m-20 -121.76 176.92 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -47.71 -24.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -104.29 -23.11 13.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.38 -132.05 8.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.3 mt -66.2 -52.57 46.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.774 . . . . 0.0 109.258 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.05 51.41 4.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.468 HG21 ' CB ' ' A' ' 53' ' ' ALA . 12.7 pt -151.81 152.13 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.69 147.77 31.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.411 HG22 ' CD1' ' A' ' 85' ' ' LEU . 1.2 pt -125.81 160.74 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -135.61 139.96 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.88 117.2 5.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.452 ' N ' HD11 ' A' ' 40' ' ' LEU . 1.7 mmm -135.48 153.53 51.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.4 107.32 3.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.436 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.9 t -86.86 143.79 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 35.48 73.33 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.75 105.96 17.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -102.97 31.47 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 57.61 47.2 16.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.55 -45.29 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.35 62.39 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.786 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.85 141.77 35.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.0 97.07 4.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -49.47 130.51 20.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.436 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -113.05 120.35 5.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.9 mm -86.36 102.73 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 96.3 m-85 -102.56 164.06 11.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.3 t -91.65 104.2 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' N ' HG21 ' A' ' 27' ' ' ILE . 17.1 tptm -56.77 -43.13 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.482 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 2.8 t -170.29 175.24 4.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.41 ' N ' ' OG1' ' A' ' 46' ' ' THR . 70.8 t -123.82 125.27 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -55.51 150.81 11.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.95 111.82 18.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.82 11.67 61.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.68 -170.85 6.46 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.4 ' CB ' ' OD1' ' A' ' 18' ' ' ASP . . . -81.63 -46.27 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' A' ' 24' ' ' ILE . . . -68.19 -34.45 76.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.71 -59.35 5.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -49.98 -51.36 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -46.43 -56.22 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.449 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 92.42 11.42 59.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -92.81 -65.92 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.5 mt -68.69 115.78 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 15.6 mm-40 -104.74 174.69 5.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 52.4 t -74.92 149.42 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 8.9 m-80 76.63 0.52 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 14.6 m-20 -62.64 159.93 15.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -121.35 110.17 15.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.456 ' CG2' HG22 ' A' ' 68' ' ' VAL . 7.8 mt -77.85 88.59 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.2 t -65.0 -38.03 81.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.9 tt0 -147.12 155.17 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.599 HG21 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -139.97 118.47 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 52.04 21.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.41 -27.59 15.0 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.473 ' CG2' HG12 ' A' ' 84' ' ' VAL . 42.9 mt -66.81 140.47 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -94.51 128.4 41.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' CD2' HG21 ' A' ' 71' ' ' ILE . 17.3 mt -112.13 39.29 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.1 t -111.38 139.45 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.17 42.71 88.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 10.9 m -137.57 145.03 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' GLN . 9.9 t -68.42 143.45 55.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' THR . 13.3 tt0 -37.94 -47.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.44 -57.73 2.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 8.6 t80 -50.45 -51.93 42.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.29 -51.05 65.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.59 -47.13 28.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 87' ' ' ASN . 82.7 m -57.18 -53.02 62.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.456 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.528 ' CG1' ' CG1' ' A' ' 68' ' ' VAL . 99.5 t -52.04 -55.93 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.411 ' CD1' HG22 ' A' ' 26' ' ' ILE . 34.9 mt -61.03 -20.13 62.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -88.46 -25.09 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.4 m-80 -81.98 -37.58 26.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.473 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 6.5 p -37.05 150.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.58 ' O ' ' C ' ' A' ' 90' ' ' GLY . 19.6 mttt -125.17 -171.34 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -20.29 -82.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -82.94 141.43 32.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.57 HG13 ' CZ ' ' A' ' 94' ' ' PHE . 40.9 t -141.12 133.63 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.402 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -104.29 106.27 16.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.599 ' CD1' HG21 ' A' ' 68' ' ' VAL . 95.6 m-85 -100.3 120.6 40.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.5 t -100.31 92.7 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.589 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.3 mm -80.38 158.9 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.52 ' C ' ' CD2' ' A' ' 8' ' ' LEU . . . -122.69 119.45 3.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -118.44 150.63 39.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.38 125.67 26.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.23 157.84 47.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -168.57 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.9 t -178.08 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -144.61 175.2 24.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.92 43.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.1 p -170.15 147.46 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m -108.94 116.38 31.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -102.58 160.7 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 p -110.39 137.54 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.83 -58.33 0.63 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -72.92 144.36 47.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.945 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' GLY . 15.1 m -44.04 -53.97 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.44 66.35 0.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.73 162.15 30.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -95.32 95.72 8.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 1.4 mm? -93.8 111.16 22.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 19.9 p90 -132.36 135.27 26.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.1 Cg_endo -75.05 134.66 17.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 94' ' ' PHE . 37.4 t -126.39 126.04 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -85.47 147.4 26.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -150.28 134.11 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -104.09 108.76 20.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 64.4 mttt -41.63 145.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -118.65 175.7 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -41.49 -27.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 18' ' ' ASP . 6.0 t70 -118.57 49.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 58.56 -147.93 38.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mt -61.84 -58.46 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.94 52.47 1.18 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.481 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 1.1 pt -150.86 158.41 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 m -116.03 146.64 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.97 162.52 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -136.47 139.52 45.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.55 114.35 4.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.476 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.5 mmm -132.26 152.76 51.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.38 108.59 3.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -86.79 132.73 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.56 91.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.79 106.86 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 0.724 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -109.75 43.55 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 49.01 58.02 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 158.98 -57.59 0.33 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.0 mt -99.41 61.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.89 132.39 50.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 119.47 26.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -71.75 129.47 38.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' MET . . . -105.46 138.09 14.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.6 mm -102.32 96.82 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' ILE . 90.8 m-85 -100.52 163.36 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' CG2' ' OD2' ' A' ' 63' ' ' ASP . 23.1 t -91.32 106.85 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.429 ' N ' HG21 ' A' ' 27' ' ' ILE . 29.9 tttp -60.32 -41.14 92.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.482 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 2.5 t -170.41 174.43 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.404 ' N ' ' OG1' ' A' ' 46' ' ' THR . 80.8 t -123.98 126.74 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -54.17 148.83 10.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.45 103.04 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.34 7.74 51.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.02 -174.72 27.57 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.98 -62.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 0.705 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.481 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -53.29 -29.11 31.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -70.74 -62.77 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -56.25 -30.54 62.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -65.58 -51.95 55.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.43 -35.0 4.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.536 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -46.06 -70.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.5 mt -67.56 133.92 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -130.84 148.11 52.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 97.0 t -40.97 150.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.0 m-80 76.89 0.41 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.509 ' OD1' ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -63.44 142.7 58.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.474 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 36.0 tt0 -109.88 105.42 14.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.475 ' CG2' HG22 ' A' ' 68' ' ' VAL . 7.5 mt -76.86 85.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.465 HG11 ' CG2' ' A' ' 74' ' ' VAL . 58.9 t -63.18 -38.9 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 9.3 tt0 -143.94 155.56 44.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.584 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -140.78 119.71 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 51.44 21.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.412 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.92 -28.37 12.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.478 ' CD1' HG13 ' A' ' 84' ' ' VAL . 68.8 mt -66.05 136.61 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.407 ' N ' HG23 ' A' ' 71' ' ' ILE . 2.4 t -92.09 123.02 35.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.1 mt -107.58 35.88 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.465 ' CG2' HG11 ' A' ' 66' ' ' VAL . 48.6 t -106.82 138.04 34.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.409 ' N ' HG11 ' A' ' 74' ' ' VAL . . . 56.1 42.08 86.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.51 HG23 ' CD1' ' A' ' 80' ' ' PHE . 14.0 m -135.37 144.7 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 80' ' ' PHE . 9.0 t -66.71 138.18 57.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 110.379 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' THR . 8.5 tt0 -36.12 -45.94 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.35 -51.29 6.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.51 ' CD1' HG23 ' A' ' 76' ' ' VAL . 45.7 t80 -57.29 -53.31 59.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.19 -45.37 79.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.92 73.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.5 m -62.51 -51.22 68.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.478 HG13 ' CD1' ' A' ' 71' ' ' ILE . 76.3 t -53.72 -56.77 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 70.4 mt -52.89 -27.2 17.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -85.17 -23.65 28.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 84' ' ' VAL . 6.5 m-20 -75.77 -41.88 51.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.488 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 64.2 p -43.81 163.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.597 ' O ' ' C ' ' A' ' 90' ' ' GLY . 6.0 mmtt -134.48 -169.32 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.35 -80.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -81.93 138.09 35.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.77 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.488 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 36.9 t -141.28 133.46 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.4 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -104.66 106.97 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.584 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 99.1 m-85 -100.92 123.37 45.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.5 t -99.99 94.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.59 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.7 mm -80.17 156.12 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -124.83 102.8 0.7 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -104.56 154.5 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.237 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.62 124.37 23.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -77.12 158.15 80.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.42 9.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -176.86 79.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.045 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.02 157.88 31.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.411 1.07 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.62 3.61 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.445 1.76 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.1 162.73 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.93 134.52 38.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.26 137.06 47.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 0.791 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.57 115.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.95 -79.46 0.84 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.549 1.155 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m 62.04 150.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t 61.7 126.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.33 76.88 0.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.435 HD11 ' N ' ' A' ' 99' ' ' GLU . 0.5 OUTLIER -117.87 157.89 25.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 6.9 pt-20 -108.96 111.84 23.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.7 mt -99.13 110.39 22.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.55 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 4.6 p90 -126.19 135.57 27.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.5 10.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.412 HG12 ' CD1' ' A' ' 59' ' ' ILE . 31.6 t -117.99 124.02 72.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -83.76 144.31 29.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mt -146.71 138.29 24.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -106.92 114.94 29.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 21.9 mttt -41.4 147.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.491 ' OD1' ' CB ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -115.83 175.83 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -48.09 -23.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -105.72 -22.17 13.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 121.41 -137.0 11.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.24 -57.66 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.18 51.08 3.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.511 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 1.2 pt -152.31 163.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.9 m -113.89 152.86 30.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 pt -130.34 158.22 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.418 HG12 ' CG ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -138.88 137.88 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.95 112.66 4.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.418 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.2 mmm -131.13 162.67 29.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.82 116.61 5.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.4 t -98.44 140.34 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 35.74 74.57 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.89 111.76 24.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -105.27 40.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 47.63 59.02 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.77 -49.05 0.62 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.4 mt -101.32 61.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 0.804 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -100.9 142.73 31.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -127.85 97.48 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.7 tp -54.32 124.37 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -103.46 121.83 7.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.5 mm -84.06 100.31 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 41' ' ' GLY . 87.6 m-85 -101.78 163.42 12.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 61' ' ' VAL . 43.5 t -93.79 112.36 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' N ' HG21 ' A' ' 27' ' ' ILE . 22.0 tptm -63.42 -40.85 98.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.478 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 8.6 t -170.49 179.88 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.437 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.83 131.72 69.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -63.82 138.21 58.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.07 102.39 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.52 31.28 5.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.5 -157.67 29.7 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.491 ' CB ' ' OD1' ' A' ' 18' ' ' ASP . . . -89.21 -48.39 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.511 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -65.97 -33.02 74.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -65.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -40.68 -49.26 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.6 -55.28 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 92.63 -0.51 70.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.494 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -76.08 -68.48 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 110.298 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.412 ' CD1' HG12 ' A' ' 13' ' ' VAL . 13.3 mt -69.07 134.81 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 6.9 mm-40 -118.5 175.49 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 53.1 t -70.62 148.68 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 12.1 m-80 77.5 3.28 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -61.83 142.48 57.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.506 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 36.6 tt0 -106.61 103.13 12.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.494 ' CG2' HG21 ' A' ' 68' ' ' VAL . 9.2 mt -73.24 84.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.68 -37.15 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.1 tt0 -146.12 157.23 43.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.578 HG23 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.18 118.32 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 52.87 20.76 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.414 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.33 -27.83 13.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 72' ' ' SER . 62.0 mt -66.43 136.09 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.402 ' N ' HG23 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -92.02 122.56 34.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.998 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 42.3 mt -106.86 41.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.6 t -109.4 139.83 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.377 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.417 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 53.23 42.42 63.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.2 m -131.33 150.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.478 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 10.0 t -68.22 140.0 56.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -37.51 -41.07 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.19 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -40.1 -56.83 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -51.52 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.01 -46.45 52.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 53.4 m -60.95 -50.38 73.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.2 t -54.15 -56.3 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 mt -53.13 -25.53 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -86.68 -24.32 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -76.85 -37.79 54.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.501 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 47.6 p -41.54 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.614 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.3 mmtt -134.84 -172.05 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.65 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -80.55 138.88 36.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.501 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 31.4 t -142.02 129.63 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -102.86 121.12 41.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.578 ' CD1' HG23 ' A' ' 68' ' ' VAL . 99.2 m-85 -113.71 121.68 44.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.7 t -94.8 94.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.55 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.1 mm -79.61 146.57 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.96 102.21 0.96 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.431 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -101.25 156.31 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.435 ' N ' HD11 ' A' ' 8' ' ' LEU . 25.3 tt0 -97.47 131.98 43.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.484 ' CG ' ' OE1' ' A' ' 9' ' ' GLU . 9.5 mtmt -113.37 158.19 39.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.7 22.03 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.7 p -117.28 82.61 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 127.97 -177.0 17.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.07 7.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.4 m -169.14 170.21 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -94.15 114.27 26.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.949 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.53 165.65 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.88 -56.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.65 167.29 0.3 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -109.35 113.57 26.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.51 98.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.17 69.25 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.419 ' CD1' ' C ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -127.12 146.97 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.1 tt0 -81.38 95.68 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.8 mt -93.6 111.09 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.601 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 20.8 p90 -133.05 132.59 22.42 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.28 14.13 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.439 HG12 ' CD1' ' A' ' 59' ' ' ILE . 42.2 t -121.5 123.12 68.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -82.15 136.29 35.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.403 HD12 ' CD1' ' A' ' 59' ' ' ILE . 1.7 mt -138.94 133.25 31.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.58 120.86 37.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' CD ' ' O ' ' A' ' 89' ' ' LYS . 2.1 mtpt -65.42 132.55 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.8 m-20 -110.08 176.28 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -39.55 -29.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' ASP . 13.9 t70 -111.74 52.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 49.98 -133.23 28.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.59 -52.59 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.41 41.51 3.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.47 HG23 ' CB ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -137.64 156.34 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -111.93 156.86 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 pt -127.81 177.79 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -153.26 139.18 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.09 109.93 3.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 mmm -128.19 158.51 37.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.995 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.31 111.28 3.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.434 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.1 t -92.04 139.45 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.84 59.02 1.13 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.68 101.09 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.13 35.64 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.83 55.74 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.0 -39.79 0.13 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.71 28.56 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.42 96.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -127.57 99.6 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 7.4 tp -61.38 131.02 48.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.434 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -107.37 116.97 5.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.0 mm -83.92 101.76 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -101.96 163.91 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 111.02 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.5 t -89.52 104.56 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -55.14 -45.24 75.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.485 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 5.4 t -170.53 179.39 3.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.415 ' N ' ' OG1' ' A' ' 46' ' ' THR . 65.2 t -131.29 129.8 62.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -61.9 134.3 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.89 110.07 5.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.85 33.01 9.35 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.45 -158.48 30.79 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.59 -49.95 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.47 ' CB ' HG23 ' A' ' 24' ' ' ILE . . . -64.37 -36.58 84.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -65.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -41.87 -44.38 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -47.56 -55.87 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.18 -4.09 77.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.441 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.0 -64.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.341 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.439 ' CD1' HG12 ' A' ' 13' ' ' VAL . 5.8 mt -68.89 131.47 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 7.3 mm-40 -119.16 174.99 6.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 54.0 t -79.03 148.23 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.1 m-80 77.2 0.8 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -63.12 172.14 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -128.26 109.87 11.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CG2' HG21 ' A' ' 68' ' ' VAL . 57.6 mt -80.92 86.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.481 HG13 ' CG2' ' A' ' 74' ' ' VAL . 54.6 t -62.45 -39.32 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 4.7 tt0 -146.5 156.88 43.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.646 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -142.02 114.69 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 69' ' ' ASP . 16.4 t0 55.81 28.12 11.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.31 -26.15 25.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.438 ' CG2' HG22 ' A' ' 84' ' ' VAL . 85.3 mt -67.05 139.62 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 71' ' ' ILE . 3.1 t -95.15 120.34 35.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.971 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.3 mt -104.6 27.13 8.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.481 ' CG2' HG13 ' A' ' 66' ' ' VAL . 77.4 t -104.51 137.07 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.24 33.19 79.21 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.572 HG21 ' CD1' ' A' ' 80' ' ' PHE . 12.0 m -127.7 148.99 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.777 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.474 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 6.8 t -69.46 144.39 53.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' THR . 32.0 tt0 -38.57 -48.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.32 -61.69 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.572 ' CD1' HG21 ' A' ' 76' ' ' VAL . 36.1 t80 -43.26 -58.14 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.36 -48.45 74.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.487 ' O ' ' CG ' ' A' ' 86' ' ' ARG . . . -55.16 -45.24 75.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -57.92 -55.51 33.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.566 ' HA ' ' ND2' ' A' ' 87' ' ' ASN . 60.5 t -54.48 -62.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.427 ' O ' ' OG1' ' A' ' 88' ' ' THR . 23.7 mt -53.29 -18.26 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -93.39 -19.22 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.255 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.566 ' ND2' ' HA ' ' A' ' 84' ' ' VAL . 34.3 p30 -106.26 11.95 30.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.463 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -67.16 141.83 57.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' ' C ' ' A' ' 90' ' ' GLY . 2.1 mmtt -99.25 -179.67 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -28.81 -84.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.37 133.28 35.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 89' ' ' LYS . 23.0 t -133.37 127.91 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -94.01 121.06 35.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.646 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 89.2 m-85 -110.48 120.77 43.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 6.0 t -97.34 91.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.601 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 1.8 mm -80.92 154.04 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.18 109.14 1.83 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.419 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -100.35 139.16 36.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.59 112.62 5.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -74.08 158.36 85.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 129.16 12.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.767 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.9 p -157.73 81.17 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.05 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.73 156.66 10.68 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.02 15.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.82 153.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.4 m -98.93 136.99 38.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.21 141.72 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -153.67 159.2 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -155.31 -77.53 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER 58.38 -87.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' GLY . 88.6 p -44.32 96.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -130.58 93.03 0.3 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 HD21 ' C ' ' A' ' 97' ' ' GLY . 0.2 OUTLIER -126.77 -171.8 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 2.1 tt0 -104.94 94.47 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.7 mt -94.51 110.24 22.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 10.9 p90 -124.9 133.86 25.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.25 17.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 110.99 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 94' ' ' PHE . 43.8 t -127.46 118.29 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.14 139.19 34.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mt -139.14 140.45 37.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 4.2 mt-10 -109.82 106.76 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.446 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 68.3 mttt -39.66 156.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' GLY . 6.3 m-20 -129.9 176.35 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 20' ' ' ASP . 0.8 OUTLIER -40.75 -29.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 5.8 t0 -120.92 49.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 58.91 -142.93 45.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.565 1.165 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.14 -56.32 5.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.0 49.25 1.94 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -141.85 152.6 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 m -107.07 155.52 19.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.422 HG21 ' CD1' ' A' ' 85' ' ' LEU . 1.4 pt -133.05 157.09 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.444 HG23 ' CA ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -133.85 142.9 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.62 117.52 5.82 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.454 ' N ' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -133.67 156.2 48.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.59 103.91 2.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.458 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -84.83 141.09 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 35.93 79.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB3' ' CB ' ' A' ' 38' ' ' GLU . . . -117.22 94.53 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -77.16 -64.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -178.85 36.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 157.54 -24.3 0.44 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.519 ' CD1' ' O ' ' A' ' 37' ' ' LEU . 4.5 pp -97.96 36.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.438 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 17.2 pt-20 -76.64 127.38 32.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -121.54 96.87 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.454 HD11 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -53.41 131.16 37.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.32 120.35 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.454 HG21 ' CB ' ' A' ' 81' ' ' ALA . 20.8 mm -84.14 99.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 27' ' ' ILE . 93.9 m-85 -99.56 163.9 12.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.3 t -90.36 110.49 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' CA ' HG23 ' A' ' 27' ' ' ILE . 42.6 tptt -61.07 -45.64 93.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.47 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 2.8 t -170.21 171.6 6.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.419 ' N ' ' HG1' ' A' ' 46' ' ' THR . 95.0 t -123.59 122.42 64.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -51.86 137.74 25.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.79 94.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.84 40.71 2.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.76 -171.96 29.08 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.33 -45.02 42.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -69.33 -31.8 70.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.48 -65.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -40.6 -43.97 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -51.81 -55.98 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.68 -3.51 71.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.469 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -82.23 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.1 mt -67.85 123.6 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 3.0 mm-40 -112.87 175.24 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 53.0 t -78.19 148.2 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.3 m-80 77.23 0.16 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.354 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 16.1 m-20 -61.91 171.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -129.52 110.87 12.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CG2' HG21 ' A' ' 68' ' ' VAL . 12.6 mt -81.04 88.06 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.5 t -64.13 -39.84 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 9.4 tt0 -143.83 158.65 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.603 HG23 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.74 118.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.2 21.25 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.404 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.12 -27.42 14.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 111.057 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.469 ' CD1' HG13 ' A' ' 84' ' ' VAL . 64.5 mt -66.4 136.43 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.408 ' N ' HG21 ' A' ' 71' ' ' ILE . 29.1 t -92.45 124.12 36.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.8 mt -107.99 43.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -111.87 139.47 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.49 41.8 64.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.472 HG23 ' CD2' ' A' ' 80' ' ' PHE . 11.9 m -133.86 145.19 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 78' ' ' GLN . 10.0 t -68.24 140.87 56.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 77' ' ' THR . 12.1 tt0 -37.23 -45.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -44.18 -55.45 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.472 ' CD2' HG23 ' A' ' 76' ' ' VAL . 68.7 t80 -49.9 -56.36 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.454 ' CB ' HG21 ' A' ' 42' ' ' ILE . . . -54.75 -47.36 73.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.33 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.6 m -64.49 -49.42 71.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 71' ' ' ILE . 96.5 t -54.05 -57.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.422 ' CD1' HG21 ' A' ' 26' ' ' ILE . 66.3 mt -52.58 -28.13 19.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -83.83 -22.38 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' VAL . 1.5 m-80 -79.42 -45.8 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.486 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 9.9 p -38.07 155.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.587 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.0 OUTLIER -128.65 -170.42 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.79 -80.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.85 138.95 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.503 ' CG1' ' CZ ' ' A' ' 94' ' ' PHE . 40.1 t -141.18 132.84 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 103.47 13.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.603 ' CD1' HG23 ' A' ' 68' ' ' VAL . 99.3 m-85 -99.33 121.75 41.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.5 t -101.07 92.68 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.587 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.6 mm -80.31 157.08 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.456 ' C ' HD21 ' A' ' 8' ' ' LEU . . . -121.04 121.77 4.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.423 ' N ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -115.59 144.33 44.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.94 108.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -67.61 157.99 84.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 179.84 5.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.456 1.766 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 t -164.36 77.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.21 159.34 15.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.137 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 166.25 29.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 149.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.035 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.0 t -100.96 147.93 25.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.053 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -114.81 156.27 25.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.992 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -77.29 102.48 6.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.54 -144.64 4.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m 63.8 153.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.048 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.4 p -39.21 140.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.13 74.4 0.44 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -126.13 155.0 42.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -90.29 97.73 11.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 110.9 22.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.6 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.35 136.12 28.16 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.432 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -74.99 134.96 18.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.464 HG11 ' CD1' ' A' ' 59' ' ' ILE . 24.6 t -127.49 122.47 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.01 136.12 34.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' VAL . 1.8 mt -143.07 128.52 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -95.47 127.54 41.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' NZ ' ' O ' ' A' ' 88' ' ' THR . 40.9 mttt -62.75 149.96 42.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -121.46 175.44 6.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ASP . 10.2 pt-20 -38.69 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ASP . 5.3 t70 -119.16 53.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 56.15 -148.81 28.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -68.02 -56.55 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.3 38.04 2.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.506 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -132.35 156.48 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 m -113.62 156.1 24.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 pt -124.94 171.9 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -148.73 143.53 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.51 112.14 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.7 mmm -133.66 158.76 42.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -109.43 112.29 3.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -96.65 141.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.66 60.56 0.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -75.32 100.74 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.89 46.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 75.85 -75.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.34 -18.75 8.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.2 61.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 13.2 pt-20 -101.7 155.56 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.29 98.52 5.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 76' ' ' VAL . 5.2 tp -55.86 112.39 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -92.1 114.49 4.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 73' ' ' LEU . 18.6 mm -83.27 99.87 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.452 0.737 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 86.6 m-85 -98.7 163.49 12.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -87.63 110.42 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -61.84 -42.5 99.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.487 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 4.1 t -170.36 172.65 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.409 ' CG2' HG21 ' A' ' 24' ' ' ILE . 92.8 t -127.22 125.37 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.3 m -51.15 138.69 19.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -71.37 99.81 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.0 28.16 9.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.05 -168.46 42.86 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 22' ' ' LEU . . . -72.35 -59.28 2.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.506 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -61.29 -24.85 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -65.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -47.56 -47.29 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -49.0 -55.74 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.9 -32.37 6.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -49.6 -70.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.464 ' CD1' HG11 ' A' ' 13' ' ' VAL . 7.9 mt -66.48 129.64 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -125.54 167.89 14.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.487 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 74.5 t -68.19 151.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 14.4 m-80 79.06 -1.07 2.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 22.1 m-20 -66.38 170.57 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.426 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 16.8 tt0 -129.28 123.63 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 27.1 mt -91.71 94.66 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.7 t -74.94 -40.04 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 71' ' ' ILE . 3.1 tt0 -146.16 148.31 32.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.615 HG21 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -132.9 108.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.59 11.73 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' O ' ' CD ' ' A' ' 67' ' ' GLU . . . 113.15 -12.59 24.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.492 ' CG2' HG12 ' A' ' 84' ' ' VAL . 58.3 mt -85.95 129.81 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.67 122.74 23.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.49 HD22 ' CG1' ' A' ' 84' ' ' VAL . 13.6 mt -104.56 -6.64 20.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.9 144.14 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 69.15 31.28 71.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 4.1 m -135.33 156.25 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 80' ' ' PHE . 9.8 t -68.36 138.75 55.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -41.2 -33.34 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.82 -52.23 65.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 84' ' ' VAL . 8.3 t80 -51.98 -54.76 25.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.8 -40.87 73.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.9 88.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -68.09 -45.22 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.492 HG12 ' CG2' ' A' ' 71' ' ' ILE . 70.5 t -59.4 -56.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.1 mt -54.1 -22.51 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -87.02 -15.68 37.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 84' ' ' VAL . 4.1 m-80 -91.15 -38.47 12.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.475 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 44.6 p -39.3 159.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -129.01 178.09 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -15.51 -85.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.78 126.28 30.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.551 HG12 ' CZ ' ' A' ' 94' ' ' PHE . 34.0 t -127.37 132.96 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -99.26 104.04 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.615 ' CD1' HG21 ' A' ' 68' ' ' VAL . 98.0 m-85 -99.73 122.39 42.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.9 t -98.03 93.99 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.6 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.4 mm -79.61 151.09 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.95 102.57 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.466 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -103.74 148.19 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.01 125.2 25.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -81.99 157.52 68.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 128.09 11.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.3 m -129.5 75.25 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 118.13 157.91 10.73 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 166.1 29.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.88 130.64 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -111.07 123.72 50.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -105.08 150.5 24.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 0.722 . . . . 0.0 110.034 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -178.62 125.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.11 -73.85 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.59 -60.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.8 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 126.81 4.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.73 69.36 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.62 146.14 47.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -79.37 94.89 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.6 mt -94.65 111.01 22.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.84 134.01 24.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.419 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.6 Cg_endo -74.93 134.69 18.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 59' ' ' ILE . 26.7 t -126.29 126.36 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -84.52 145.49 28.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 59' ' ' ILE . 1.8 mt -151.1 135.0 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.48 121.64 43.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 38.9 mttt -56.19 147.43 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -120.32 174.79 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -39.39 -29.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' ASP . 15.5 t0 -118.05 53.61 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 55.26 -146.35 29.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 3.7 mt -66.65 -57.66 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.9 41.5 2.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.495 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -137.73 161.6 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -113.93 155.63 25.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 pt -128.8 167.8 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.413 HG12 ' CG ' ' A' ' 29' ' ' MET . 0.5 OUTLIER -147.91 140.57 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.73 111.84 4.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.57 1.169 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.413 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.4 mmm -130.56 162.55 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.94 114.88 5.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -96.18 141.0 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.32 53.53 1.3 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.28 103.98 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -90.74 49.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 75.09 -75.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.69 -24.21 5.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.9 mt -94.55 58.08 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -97.7 152.09 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -127.83 98.53 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.444 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.3 tp -54.05 129.98 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -112.02 123.13 6.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.2 mm -85.23 111.73 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 86.2 m-85 -110.99 164.67 12.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.541 ' CG2' ' OD1' ' A' ' 63' ' ' ASP . 22.0 t -89.4 104.67 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -57.08 -42.7 81.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.415 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 5.2 t -171.07 177.72 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.401 ' N ' ' OG1' ' A' ' 46' ' ' THR . 85.6 t -131.18 127.84 61.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -58.2 143.58 43.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.27 99.47 3.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.31 19.28 19.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.28 -174.67 47.86 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.462 ' CB ' HD21 ' A' ' 15' ' ' LEU . . . -71.88 -51.47 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.495 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -65.76 -27.26 68.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.79 -64.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -50.28 -44.21 53.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -46.06 -49.35 16.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 84.46 -4.73 83.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -82.66 -65.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 15' ' ' LEU . 5.6 mt -68.6 129.9 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 9.4 mm-40 -116.47 177.5 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 55.9 t -83.02 146.21 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.2 m-80 77.73 11.49 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.541 ' OD1' ' CG2' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -73.4 175.93 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 31.3 tt0 -131.17 115.91 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 68' ' ' VAL . 6.9 mt -85.39 89.96 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.435 HG12 ' CG2' ' A' ' 74' ' ' VAL . 47.6 t -68.09 -37.08 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 5.7 tt0 -147.41 159.18 43.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.601 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.95 117.86 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.65 20.16 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.26 -28.41 11.02 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.459 HG22 ' CG2' ' A' ' 84' ' ' VAL . 48.1 mt -66.12 140.24 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -93.0 123.22 36.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.464 ' CD2' HG23 ' A' ' 84' ' ' VAL . 69.7 mt -106.93 34.64 3.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.435 ' CG2' HG12 ' A' ' 66' ' ' VAL . 87.2 t -106.28 141.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.406 ' N ' HG13 ' A' ' 74' ' ' VAL . . . 52.5 44.71 59.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.9 m -133.77 147.95 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.444 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 t -68.25 143.5 55.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.1 OUTLIER -38.31 -47.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -46.31 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -37.41 -53.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.21 -58.36 7.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.86 -52.01 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' ASN . 57.8 m -56.34 -51.66 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.466 ' CG1' HG13 ' A' ' 68' ' ' VAL . 54.8 t -51.87 -55.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 68.1 mt -60.6 -24.24 65.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 1.6 ttt180 -83.6 -27.86 28.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 83' ' ' THR . 6.6 m-80 -74.75 -48.4 25.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.489 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 76.0 p -36.48 151.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.608 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.2 OUTLIER -121.83 -172.77 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -18.03 -81.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -77.73 137.53 38.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.534 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 46.7 t -140.41 131.22 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.419 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -102.69 107.48 18.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.601 ' CD1' HG22 ' A' ' 68' ' ' VAL . 95.0 m-85 -101.27 123.68 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 4.3 t -100.14 93.28 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.596 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.7 mm -80.41 152.08 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.04 105.85 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.5 146.54 26.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.36 116.2 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -73.33 158.31 86.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 128.17 11.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 t -143.0 76.93 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.32 159.12 8.18 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.94 4.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.4 t 62.37 132.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.33 96.38 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.053 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -123.8 171.04 9.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -134.3 166.99 21.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.66 148.89 5.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -169.21 161.09 10.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -115.32 166.52 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.64 -57.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.524 ' CD2' ' C ' ' A' ' 97' ' ' GLY . 0.2 OUTLIER -115.57 -177.38 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.2 tt0 -104.57 98.07 7.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.9 110.45 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 9.3 p90 -126.48 131.71 24.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 120.56 6.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.491 HG13 ' CB ' ' A' ' 58' ' ' ARG . 40.6 t -111.72 122.85 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.11 145.48 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD12 ' CE2' ' A' ' 94' ' ' PHE . 1.6 mt -147.07 132.86 18.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -104.68 110.78 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' GLU . 51.6 mttt -39.27 154.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 21' ' ' GLY . 77.9 m-20 -128.72 175.9 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -41.16 -31.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.263 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.94 47.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 60.47 -141.95 47.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.69 -57.05 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.36 53.51 1.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.477 HG21 ' CB ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -142.72 153.59 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.364 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 m -111.5 138.54 47.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pt -111.36 -177.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -158.04 142.67 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.13 110.92 4.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.401 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.8 mmm -129.89 160.74 32.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.36 114.13 4.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.449 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -97.14 139.18 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.19 64.42 0.58 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.417 ' HB3' ' CB ' ' A' ' 38' ' ' GLU . . . -104.56 105.28 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -90.72 -0.7 57.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.571 ' CB ' ' O ' ' A' ' 34' ' ' ASP . . . 88.66 40.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -167.01 -53.53 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.75 38.7 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . 15.5 pt-20 -57.02 136.71 56.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -127.33 97.45 4.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 6.2 tp -56.73 129.88 43.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.449 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -110.42 119.51 5.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.2 mm -83.46 111.1 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 96.1 m-85 -111.25 164.24 13.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -88.59 102.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 27' ' ' ILE . 9.5 tptm -57.68 -40.98 80.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.486 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 5.7 t -170.66 170.67 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.3 t -126.53 120.29 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.4 m -49.9 134.97 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -71.7 104.54 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.44 26.33 12.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.07 170.88 32.14 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.85 -55.61 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.36 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.477 ' CB ' HG21 ' A' ' 24' ' ' ILE . . . -56.42 -43.31 79.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.3 -57.2 14.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -43.69 -41.48 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.51 -55.41 35.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.35 -20.21 50.51 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.491 ' CB ' HG13 ' A' ' 13' ' ' VAL . 3.9 mmm180 -64.58 -63.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 0.724 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -68.26 104.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.85 170.44 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 60.3 t -70.14 148.96 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.1 m-80 77.11 0.9 3.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 13.2 m-20 -64.99 170.41 4.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -129.57 112.77 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.427 ' CG2' HG21 ' A' ' 68' ' ' VAL . 6.2 mt -81.9 88.11 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.96 -39.37 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 8.7 tt0 -146.27 158.83 43.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.625 HG23 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -144.31 117.75 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 53.65 20.5 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.431 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.33 -27.29 14.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.491 ' CD1' HG13 ' A' ' 84' ' ' VAL . 64.6 mt -67.55 136.04 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.776 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.1 122.01 34.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 40.0 mt -105.11 38.01 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 75' ' ' GLY . 68.7 t -109.24 139.64 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.424 ' N ' HG12 ' A' ' 74' ' ' VAL . . . 54.54 44.79 78.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.482 ' CG2' ' CD1' ' A' ' 80' ' ' PHE . 4.6 m -136.77 151.24 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.463 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 8.2 t -68.63 141.75 55.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -39.7 -39.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -58.39 6.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.482 ' CD1' ' CG2' ' A' ' 76' ' ' VAL . 47.0 t80 -44.96 -55.45 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.25 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.02 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.6 m -62.24 -48.64 79.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.491 HG13 ' CD1' ' A' ' 71' ' ' ILE . 73.1 t -55.43 -56.56 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.0 mt -52.95 -25.47 12.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -86.24 -22.57 26.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' VAL . 1.9 m-80 -77.81 -40.93 38.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.512 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 59.4 p -42.9 164.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.611 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -137.12 -169.69 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.17 -82.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -82.88 138.08 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.512 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 23.2 t -142.04 131.94 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -104.16 118.53 36.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.625 ' CD1' HG23 ' A' ' 68' ' ' VAL . 98.5 m-85 -110.13 117.45 33.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.4 t -95.24 90.83 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.598 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.8 mm -80.64 156.31 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.524 ' C ' ' CD2' ' A' ' 8' ' ' LEU . . . -116.11 112.27 2.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -101.84 143.32 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.39 116.01 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -76.21 157.92 82.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.67 17.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.2 t -159.88 82.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 110.031 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.98 177.44 14.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 178.99 6.53 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.057 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.1 p 179.14 143.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.26 146.87 38.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.979 . . . . . . . . 0 0 . 1 . 018 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 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 p -114.06 172.62 6.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 p -49.78 167.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.04 -141.11 11.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m 64.5 120.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.73 157.86 17.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.13 -69.65 1.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.515 HD23 ' CB ' ' A' ' 99' ' ' GLU . 0.5 OUTLIER -110.74 152.17 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 109.351 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 5.0 pt-20 -104.95 114.51 28.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 14.1 mt -96.66 110.16 22.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 3.0 p90 -125.23 133.2 24.63 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 121.77 6.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -111.38 124.99 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.36 138.58 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 mt -144.37 137.81 27.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 5.7 mt-10 -106.59 129.25 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 67.1 mttt -59.47 150.14 27.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.5 m-20 -126.0 176.53 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -38.76 -31.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 18' ' ' ASP . 24.4 t0 -117.18 52.93 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 55.12 -145.26 30.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.24 -57.39 8.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.92 52.73 1.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.513 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -146.82 155.54 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.749 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.3 m -110.26 149.54 30.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 pt -127.81 156.75 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.447 HG21 ' CA ' ' A' ' 45' ' ' LYS . 1.1 tt -134.58 141.86 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' C ' ' HG2' ' A' ' 29' ' ' MET . . . -97.06 118.52 6.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.471 ' N ' HD13 ' A' ' 40' ' ' LEU . 1.6 mmm -136.23 148.36 48.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 0.787 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.79 107.14 3.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.6 t -85.72 145.91 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.73 49.7 1.39 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.41 87.97 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.94 38.36 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.9 56.02 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 168.81 -52.78 0.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.148 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -96.04 35.41 1.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.08 96.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -124.24 100.43 6.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -60.07 131.07 49.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -113.72 125.03 6.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.1 mm -89.77 106.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 89.9 m-85 -106.19 163.57 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.8 t -87.72 106.4 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' CA ' HG21 ' A' ' 27' ' ' ILE . 7.3 tttt -59.59 -42.43 92.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.458 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 3.9 t -170.53 171.94 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.442 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.3 t -124.8 119.29 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -50.36 135.4 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.83 97.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.82 11.02 27.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.79 170.75 55.08 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.9 -57.16 14.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -56.86 -35.01 68.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.22 -60.3 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -48.99 -39.75 27.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -55.19 -54.04 48.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 89.95 -4.02 83.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -79.6 -67.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.6 mt -68.29 123.29 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 2.8 mm-40 -110.32 175.04 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 51.3 t -76.09 149.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.1 m-80 77.6 0.14 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 22.6 m-20 -62.28 170.73 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -128.43 112.77 14.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.47 ' CG2' HG22 ' A' ' 68' ' ' VAL . 19.0 mt -82.66 86.09 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.8 t -64.31 -35.35 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 6.0 tt0 -147.83 156.74 43.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.58 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -143.1 114.45 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 69' ' ' ASP . 14.2 t0 56.22 26.79 10.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 100.85 -25.17 29.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' ' 72' ' ' SER . 87.7 mt -68.72 140.66 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 0.784 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.436 ' N ' HG21 ' A' ' 71' ' ' ILE . 11.4 t -94.54 135.05 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.984 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.444 HD11 ' CG2' ' A' ' 65' ' ' ILE . 57.0 mt -117.85 33.65 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.2 t -107.09 133.8 50.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.16 35.44 91.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.524 HG22 ' CD1' ' A' ' 80' ' ' PHE . 11.5 m -130.32 144.14 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' PHE . 6.6 t -68.43 140.57 55.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' THR . 1.3 tt0 -38.64 -42.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -45.93 -46.9 16.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.539 ' CE1' HG21 ' A' ' 84' ' ' VAL . 37.3 t80 -58.43 -56.66 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.74 -46.78 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.19 -44.56 68.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -65.19 -50.01 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.539 HG21 ' CE1' ' A' ' 80' ' ' PHE . 32.5 t -55.01 -58.07 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.1 mt -51.85 -27.33 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -83.72 -24.18 31.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' VAL . 22.0 m-20 -76.55 -42.38 43.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.502 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 70.9 p -40.66 161.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.608 ' O ' ' C ' ' A' ' 90' ' ' GLY . 3.0 mmpt? -134.27 -169.39 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.36 -83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -79.38 138.71 37.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.542 HG12 ' CZ ' ' A' ' 94' ' ' PHE . 60.1 t -141.29 121.53 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.31 113.15 25.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 98.1 m-85 -106.46 117.16 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.3 t -95.17 92.36 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.409 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.9 mm -80.94 154.51 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.33 102.89 0.94 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -110.26 136.52 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.515 ' CB ' HD23 ' A' ' 8' ' ' LEU . 2.1 pt-20 -80.42 133.77 35.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -128.31 158.46 71.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.93 9.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.0 p -43.46 -41.53 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -128.82 166.43 21.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.89 4.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.5 t -174.65 131.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.2 m -101.5 131.03 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.953 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 111.042 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.17 135.76 33.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -79.79 176.41 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.35 -89.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.12 173.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.032 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.91 133.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.25 77.19 0.25 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.407 ' CD1' ' C ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -124.7 155.35 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.331 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 2.1 tt0 -89.69 94.86 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -94.38 110.82 22.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.5 p90 -132.43 134.06 24.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.03 16.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.804 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' PHE . 21.4 t -123.52 126.14 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.39 138.51 31.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD1' HD11 ' A' ' 59' ' ' ILE . 4.7 mt -141.89 138.25 31.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 1.8 mt-10 -108.12 111.44 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 47.7 mttt -42.03 153.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 21' ' ' GLY . 0.7 OUTLIER -123.39 176.59 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.51 -29.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -116.77 47.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 61.85 -148.11 47.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -66.84 -57.55 6.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.1 47.97 2.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.56 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 4.3 pt -138.2 155.21 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -112.9 147.25 37.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 85' ' ' LEU . 2.5 pt -121.33 172.42 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.413 HG12 ' CG ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -150.3 142.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.7 111.23 4.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.413 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.8 mmm -133.23 160.08 38.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.25 113.33 3.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.3 t -96.3 139.51 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.21 54.26 1.25 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.47 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -62.74 115.94 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 5.2 m-20 -105.42 48.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 34' ' ' ASP . . . 77.52 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -118.12 -12.79 7.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mp -96.49 30.14 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 17.4 pt-20 -75.57 156.62 34.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -127.6 97.15 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' N ' ' HA2' ' A' ' 75' ' ' GLY . 4.1 tp -55.0 113.67 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -91.95 117.05 5.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 73' ' ' LEU . 21.1 mm -82.82 97.12 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 41' ' ' GLY . 90.8 m-85 -95.55 164.19 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.8 t -90.87 114.74 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -65.38 -43.06 91.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.485 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 6.4 t -170.55 179.36 3.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.412 HG13 ' CG ' ' A' ' 54' ' ' GLN . 58.3 t -130.49 129.89 64.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 m -57.9 137.04 57.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -74.29 107.01 6.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.18 29.58 12.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.46 -154.85 31.4 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.97 -44.34 9.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.56 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -71.19 -37.75 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.412 ' CG ' HG13 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.97 -64.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -45.37 -45.58 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -49.32 -56.68 8.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 93.43 0.89 66.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.59 -68.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.339 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.432 HD11 ' CD1' ' A' ' 15' ' ' LEU . 18.7 mt -68.08 126.61 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 6.4 mm-40 -113.38 175.35 5.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 61.7 t -78.07 149.0 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.5 m-80 77.68 -0.41 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 9.7 m-20 -63.3 166.4 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -125.69 122.01 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.475 ' CG2' HG21 ' A' ' 68' ' ' VAL . 5.8 mt -87.88 91.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.0 t -68.89 -37.01 76.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 71' ' ' ILE . 3.8 tt0 -151.02 149.42 29.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.594 HG23 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -134.02 109.57 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ARG . 1.7 m-20 62.63 12.46 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.74 -12.49 25.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.466 HG21 ' CG2' ' A' ' 84' ' ' VAL . 55.7 mt -86.23 127.25 40.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.753 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.82 118.7 17.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 84' ' ' VAL . 17.3 mt -102.99 17.62 23.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -112.84 142.12 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.436 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 70.04 24.9 76.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.563 ' CG2' ' CD1' ' A' ' 80' ' ' PHE . 3.0 m -126.25 154.12 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 0.729 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 78' ' ' GLN . 10.1 t -67.95 140.25 56.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 77' ' ' THR . 1.3 tm0? -36.71 -45.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.52 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.563 ' CD1' ' CG2' ' A' ' 76' ' ' VAL . 15.5 t80 -38.55 -53.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.75 -58.53 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.45 -52.37 4.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' ASN . 86.9 m -50.83 -54.23 25.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.484 ' CG1' HG12 ' A' ' 68' ' ' VAL . 95.7 t -50.68 -60.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.467 ' CD1' HG21 ' A' ' 26' ' ' ILE . 45.9 mt -55.17 -24.02 24.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 0.4 OUTLIER -85.74 -25.1 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' THR . 3.2 m-80 -82.83 -41.05 19.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.471 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 25.5 p -38.93 159.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.619 ' O ' ' C ' ' A' ' 90' ' ' GLY . 26.1 mtmt -131.34 -174.14 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.38 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -76.95 138.11 39.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.563 ' CG1' ' CZ ' ' A' ' 94' ' ' PHE . 48.9 t -142.29 123.47 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -95.57 115.16 27.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.594 ' CD1' HG23 ' A' ' 68' ' ' VAL . 99.3 m-85 -109.77 123.23 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 3.6 t -99.09 92.69 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.596 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.6 mm -79.55 151.73 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.97 104.7 1.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.407 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -97.86 142.99 28.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.18 117.32 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -74.47 157.9 85.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 179.75 5.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.11 57.5 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.83 -153.34 6.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 84.87 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.451 1.764 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.9 m -156.7 -58.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 m -76.37 142.79 41.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 110.051 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -97.7 168.69 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 0.82 . . . . 0.0 109.997 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -166.15 151.09 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.28 85.49 0.12 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 t -170.27 132.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.38 145.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.71 -71.34 0.82 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER -112.73 163.08 15.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 6.8 pt-20 -111.22 111.76 23.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.26 110.23 22.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 7.1 p90 -124.36 134.53 25.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 122.23 7.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.463 HG11 ' CD1' ' A' ' 59' ' ' ILE . 55.1 t -111.52 123.48 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.55 ' CG ' ' NE ' ' A' ' 93' ' ' ARG . 3.4 mt-10 -85.2 135.18 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 53' ' ' ALA . 2.9 mt -134.74 144.79 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.5 mt-10 -111.83 105.37 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 41.3 mttt -38.46 156.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' GLY . 24.8 m-20 -123.18 177.54 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -47.5 -23.6 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.71 -24.69 14.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.68 -135.63 9.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.458 ' CD2' HG22 ' A' ' 92' ' ' VAL . 53.6 mt -57.63 -55.53 33.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 0.794 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.77 50.82 4.79 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.519 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 3.4 pt -153.07 156.86 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -110.09 143.48 40.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.029 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 pt -121.66 160.6 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -138.6 141.75 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.64 114.57 5.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.446 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.3 mmm -133.26 154.86 50.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.27 104.92 3.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -92.42 159.51 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.48 29.39 0.14 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.471 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -69.07 108.7 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.594 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 3.1 m-20 -93.79 -25.06 17.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 34' ' ' ASP . . . 156.52 -44.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.97 -32.24 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.541 ' CD1' ' O ' ' A' ' 37' ' ' LEU . 3.7 pp -89.17 40.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.471 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 15.1 pt-20 -79.32 152.79 30.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -124.84 97.23 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -51.18 131.55 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.442 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.33 130.17 9.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.459 HG21 ' CB ' ' A' ' 81' ' ' ALA . 12.3 mm -94.86 102.55 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 83.4 m-85 -102.62 164.2 11.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.2 t -88.78 102.72 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 27' ' ' ILE . 18.2 tttp -57.48 -39.4 76.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.475 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 5.2 t -170.66 179.49 3.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.415 ' N ' ' OG1' ' A' ' 46' ' ' THR . 91.9 t -130.33 125.6 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -59.86 133.01 55.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.86 113.73 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' NH1' ' A' ' 55' ' ' ARG . . . 88.36 29.35 19.75 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.13 -164.42 32.33 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.426 ' CB ' HD21 ' A' ' 15' ' ' LEU . . . -79.75 -57.47 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.519 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -59.27 -34.38 72.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.8 -58.64 5.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 50' ' ' GLY . 69.7 mtm-85 -49.15 -49.82 40.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -54.88 -53.41 55.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.06 -30.08 7.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.519 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -46.0 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.463 ' CD1' HG11 ' A' ' 13' ' ' VAL . 14.6 mt -67.87 129.78 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -122.64 164.25 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 96.8 t -66.28 151.27 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 13.9 m-80 78.62 -1.46 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 18.1 m-20 -64.36 170.86 3.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -128.65 115.69 18.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 27.2 mt -84.47 91.92 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.482 HG13 ' CG2' ' A' ' 74' ' ' VAL . 58.9 t -71.55 -38.13 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 6.6 tt0 -144.91 160.15 41.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.63 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.1 t -144.66 117.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.02 20.18 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.415 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.59 -28.11 11.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 56.2 mt -66.02 136.3 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 71' ' ' ILE . 33.1 t -87.02 129.25 34.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 65' ' ' ILE . 55.9 mt -113.62 42.04 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.482 ' CG2' HG13 ' A' ' 66' ' ' VAL . 61.9 t -111.79 144.03 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.418 ' N ' HG12 ' A' ' 74' ' ' VAL . . . 47.65 44.46 23.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 74' ' ' VAL . 9.8 m -133.08 143.37 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 78' ' ' GLN . 9.8 t -67.81 140.28 56.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' THR . 3.4 tt0 -37.45 -47.37 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -52.98 4.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -52.25 -60.09 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.459 ' CB ' HG21 ' A' ' 42' ' ' ILE . . . -51.85 -48.18 64.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.35 62.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.235 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.5 m -62.18 -46.62 88.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.421 ' CG1' ' CG1' ' A' ' 68' ' ' VAL . 69.5 t -57.77 -55.76 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' ' 88' ' ' THR . 48.5 mt -53.62 -23.02 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -87.77 -25.26 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 88' ' ' THR . 13.9 m-20 -80.25 -37.94 31.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.48 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 15.3 p -38.14 157.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.2 OUTLIER -127.23 -166.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.523 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -27.57 -80.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -83.62 140.63 32.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.559 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 40.2 t -141.47 128.82 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.55 ' NE ' ' CG ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -99.94 104.33 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.63 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 95.5 m-85 -97.69 117.7 32.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 11' ' ' PHE . 2.1 t -93.87 93.83 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.492 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.4 mm -80.12 155.88 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.02 111.74 1.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.45 152.16 39.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.412 ' N ' HD12 ' A' ' 8' ' ' LEU . 2.5 mt-10 -63.14 141.52 58.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -85.29 156.84 59.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 149.83 37.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.1 p -175.23 79.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.029 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 118.7 -150.97 17.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 152.77 41.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.4 p 179.77 118.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.04 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.5 96.37 7.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.479 HD23 ' HA2' ' A' ' 97' ' ' GLY . 42.1 mt -93.78 110.91 22.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.2 p90 -131.0 135.84 27.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.1 Cg_endo -75.07 134.93 18.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG11 HG13 ' A' ' 59' ' ' ILE . 49.5 t -127.19 119.57 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.22 135.76 35.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.553 ' CD1' HD12 ' A' ' 59' ' ' ILE . 1.8 mt -136.75 133.99 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -101.43 117.57 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 63.7 mttt -53.32 152.08 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.734 ' OD2' ' HB2' ' A' ' 52' ' ' ALA . 5.7 m-20 -129.51 177.12 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 20' ' ' ASP . 0.9 OUTLIER -38.95 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.7 t70 -120.8 51.08 1.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 54.33 -136.07 43.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -77.31 -53.52 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.66 48.49 2.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.749 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -137.77 155.28 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.31 149.17 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.034 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.697 HG21 HD11 ' A' ' 85' ' ' LEU . 2.5 pt -124.75 161.61 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.592 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -135.97 141.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.9 115.22 4.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.82 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.2 mmt -129.85 153.64 48.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.611 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -100.92 103.97 2.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.459 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -121.94 97.04 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -54.0 130.48 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -112.7 119.3 4.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.721 HG13 ' HB2' ' A' ' 81' ' ' ALA . 27.3 mm -84.56 106.97 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.592 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.7 m-85 -107.71 163.08 13.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 61' ' ' VAL . 19.8 t -88.01 108.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -61.3 -44.82 96.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.698 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.1 t -169.04 177.48 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.725 HG22 HG22 ' A' ' 24' ' ' ILE . 98.6 t -130.26 128.47 64.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -56.95 132.32 52.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.68 95.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.89 29.48 5.81 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.2 -179.17 41.37 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.734 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . . . -67.35 -42.98 82.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.749 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -72.46 -33.44 67.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.78 -64.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -42.27 -45.96 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -52.75 -56.69 13.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.99 -31.2 8.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.509 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.45 -69.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.791 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.553 HD12 ' CD1' ' A' ' 15' ' ' LEU . 90.2 mt -66.37 127.43 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.34 174.45 6.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.698 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.1 t -74.45 150.27 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.3 m-80 76.66 0.94 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 9.2 m-20 -62.79 164.21 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 30.0 tt0 -124.77 110.8 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.595 ' CG2' HG23 ' A' ' 68' ' ' VAL . 8.0 mt -82.13 86.96 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.456 HG21 HD22 ' A' ' 10' ' ' LEU . 51.3 t -63.74 -39.85 86.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.5 tt0 -143.0 158.74 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.647 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -144.15 118.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.537 ' OD2' HG13 ' A' ' 92' ' ' VAL . 2.8 m-20 52.46 21.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.413 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.51 -26.62 17.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.583 HG21 ' CG2' ' A' ' 84' ' ' VAL . 41.6 mt -67.18 136.11 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.73 128.62 36.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.996 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.526 HD23 ' HE1' ' A' ' 80' ' ' PHE . 34.1 mt -112.86 36.95 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.693 ' O ' HG13 ' A' ' 76' ' ' VAL . 91.4 t -106.25 138.59 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 55.15 39.78 71.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.693 HG13 ' O ' ' A' ' 74' ' ' VAL . 12.4 m -130.52 143.5 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.469 HG23 ' HB2' ' A' ' 79' ' ' ASN . 6.0 t -67.68 144.2 55.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 77' ' ' THR . 22.5 tt0 -37.7 -49.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.469 ' HB2' HG23 ' A' ' 77' ' ' THR . 95.3 m-20 -40.49 -57.67 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.618 ' CD1' HG21 ' A' ' 76' ' ' VAL . 50.4 t80 -49.88 -57.33 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.721 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.57 -45.58 73.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.93 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.5 m -61.74 -46.79 88.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.593 HG12 HG11 ' A' ' 68' ' ' VAL . 34.2 t -58.04 -58.24 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.697 HD11 HG21 ' A' ' 26' ' ' ILE . 51.4 mt -52.13 -22.17 3.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -22.72 22.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' VAL . 4.5 m-80 -84.04 -32.45 24.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.575 ' HB ' HG21 ' A' ' 92' ' ' VAL . 12.2 p -38.73 158.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.559 ' O ' ' C ' ' A' ' 90' ' ' GLY . 33.1 mtmt -128.75 -173.61 3.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -22.5 -84.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.19 134.69 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.575 HG21 ' HB ' ' A' ' 88' ' ' THR . 17.8 t -132.05 138.36 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.14 106.01 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.647 ' CD1' HG22 ' A' ' 68' ' ' VAL . 97.7 m-85 -100.35 121.93 42.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.4 t -99.81 93.88 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.591 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.4 mm -79.82 156.48 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.479 ' HA2' HD23 ' A' ' 10' ' ' LEU . . . -122.73 105.86 0.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -101.58 149.04 24.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.3 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.532 HD23 ' HA2' ' A' ' 97' ' ' GLY . 51.8 mt -94.5 111.21 22.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.06 134.26 25.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.96 17.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' PHE . 37.4 t -125.97 122.14 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -86.34 137.39 32.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 53' ' ' ALA . 3.3 mt -139.85 135.92 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.9 mt-10 -105.9 105.92 16.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 89' ' ' LYS . 41.7 mttt -39.12 158.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.703 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -128.1 176.43 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' ASP . 8.6 t70 -119.57 51.21 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 57.93 -146.44 39.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.72 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -70.28 -56.37 6.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.54 43.93 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.825 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -136.45 154.69 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 0.764 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.3 m -111.55 146.85 36.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.683 HG21 HD11 ' A' ' 85' ' ' LEU . 2.6 pt -120.37 177.95 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.568 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -154.67 143.75 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.93 114.47 5.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.7 mmm -132.11 160.73 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.79 114.73 5.04 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.427 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.4 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -127.5 96.89 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.8 tp -53.22 125.8 18.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -107.32 122.08 6.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.462 HG13 ' HB2' ' A' ' 81' ' ' ALA . 16.0 mm -83.64 115.09 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.568 ' HB2' HG23 ' A' ' 27' ' ' ILE . 91.9 m-85 -114.57 164.08 14.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.849 HG23 ' OD1' ' A' ' 63' ' ' ASP . 14.6 t -89.31 104.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -56.1 -46.29 79.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.603 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.2 t -170.25 171.78 6.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 110.348 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.813 HG22 HG22 ' A' ' 24' ' ' ILE . 76.5 t -123.29 121.89 63.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -51.26 142.71 12.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -69.94 103.01 2.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.79 14.97 47.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.93 177.17 31.85 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -68.96 -37.57 78.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.825 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -78.28 -24.23 46.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.52 -61.74 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NH2' ' OD2' ' A' ' 18' ' ' ASP . 25.2 mtm105 -52.79 -39.08 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -47.98 -54.4 13.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.458 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 89.15 -5.73 84.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.48 -67.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 15' ' ' LEU . 6.8 mt -67.93 129.01 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.462 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 10.4 mm-40 -115.51 177.82 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.603 HG22 ' HA ' ' A' ' 46' ' ' THR . 61.6 t -83.17 146.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.2 m-80 77.46 10.4 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.849 ' OD1' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -71.06 175.51 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.415 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 15.9 tt0 -131.11 113.34 13.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.521 ' CG2' HG23 ' A' ' 68' ' ' VAL . 9.4 mt -84.13 87.27 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.453 HG21 HD22 ' A' ' 10' ' ' LEU . 47.8 t -65.43 -39.57 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 9.4 tt0 -144.2 157.68 44.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.634 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.07 118.47 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 52.31 21.87 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.409 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.32 -27.56 15.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.582 HD12 HG13 ' A' ' 84' ' ' VAL . 70.3 mt -66.06 136.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.1 t -91.54 115.16 27.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.613 HD21 HG11 ' A' ' 84' ' ' VAL . 38.0 mt -98.63 35.88 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.899 ' O ' HG13 ' A' ' 76' ' ' VAL . 94.3 t -102.86 143.15 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.23 45.8 27.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 74' ' ' VAL . 5.8 m -132.31 148.37 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.804 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.466 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 t -68.72 142.5 54.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 77' ' ' THR . 23.3 tt0 -36.69 -48.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -44.4 -66.19 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.723 ' CD2' HG21 ' A' ' 76' ' ' VAL . 70.1 t80 -36.1 -57.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -55.9 -48.14 76.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' ASN . . . -52.38 -43.43 64.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 42.8 m -64.59 -52.01 59.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.613 HG11 HD21 ' A' ' 73' ' ' LEU . 91.5 t -51.75 -55.53 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.683 HD11 HG21 ' A' ' 26' ' ' ILE . 78.8 mt -53.56 -28.25 30.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -84.87 -21.69 29.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 88' ' ' THR . 5.8 m-80 -78.69 -48.15 15.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.617 ' HB ' HG22 ' A' ' 92' ' ' VAL . 15.9 p -39.83 160.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.625 ' O ' ' C ' ' A' ' 90' ' ' GLY . 13.7 mtmt -129.8 -174.9 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.625 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -15.09 -82.42 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -76.16 136.37 39.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.787 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 61.3 t -140.65 129.5 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 104.6 15.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.787 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 98.5 m-85 -101.14 121.21 41.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -99.34 92.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.686 HG23 ' OD2' ' A' ' 63' ' ' ASP . 2.9 mm -80.14 154.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.532 ' HA2' HD23 ' A' ' 10' ' ' LEU . . . -119.67 106.28 1.21 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -100.06 146.61 26.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.293 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 7.4 pt-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.9 OUTLIER -96.57 111.04 23.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 5.3 p90 -126.43 135.4 27.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.4 Cg_endo -75.01 131.85 14.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' PHE . 46.7 t -123.67 118.24 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.31 128.99 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 15' ' ' LEU . 1.8 mt -128.31 127.52 42.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -94.37 98.63 11.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 90' ' ' GLY . 2.5 mtpt -39.05 155.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.658 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -120.72 175.95 5.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -48.44 -22.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.71 -24.69 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 125.21 -135.45 9.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.804 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 13.9 mt -74.09 -53.18 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.07 53.15 3.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.749 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -149.69 163.55 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.6 m -116.35 148.55 40.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.598 HG21 HD11 ' A' ' 85' ' ' LEU . 1.3 pt -126.25 159.34 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -138.13 141.25 38.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.65 117.32 5.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.722 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.3 mmm -133.83 155.37 49.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.601 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -96.02 107.23 3.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HD2' HG12 ' A' ' 74' ' ' VAL . 1.6 mmtt -126.71 96.88 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -50.57 129.85 23.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.09 130.08 9.42 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.587 HG13 ' HB2' ' A' ' 81' ' ' ALA . 15.7 mm -93.26 96.86 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.474 ' HB2' HG23 ' A' ' 27' ' ' ILE . 89.7 m-85 -98.67 163.77 12.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.523 HG21 ' OD2' ' A' ' 63' ' ' ASP . 30.7 t -92.8 114.41 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -67.77 -39.51 84.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.711 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.6 t -170.45 173.02 5.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 24' ' ' ILE . 78.4 t -124.11 124.23 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -50.79 149.65 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -79.07 108.79 12.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.06 8.82 68.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.87 -172.72 6.65 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -73.43 -59.33 2.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.749 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -56.4 -28.27 58.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.34 -63.37 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -48.28 -41.09 27.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -56.71 -56.95 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.53 -29.02 10.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.51 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.4 -70.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.412 HG23 ' OD2' ' A' ' 63' ' ' ASP . 11.3 mt -67.35 133.4 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -129.64 149.06 51.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.711 HG22 ' HA ' ' A' ' 46' ' ' THR . 96.2 t -40.43 149.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 8.0 m-80 76.51 1.04 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.972 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -63.44 144.03 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 27.0 tt0 -110.4 108.67 18.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.637 ' CG2' HG23 ' A' ' 68' ' ' VAL . 22.9 mt -80.54 85.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.19 -38.62 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.3 tt0 -143.5 157.29 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.652 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.72 118.76 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 51.97 20.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.407 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.92 -27.84 12.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.546 HD12 HG13 ' A' ' 84' ' ' VAL . 63.7 mt -66.37 136.09 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -91.84 129.07 37.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.618 HD23 ' HE1' ' A' ' 80' ' ' PHE . 51.0 mt -112.91 39.9 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.659 ' O ' HG13 ' A' ' 76' ' ' VAL . 99.4 t -111.05 138.0 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.24 38.87 88.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 74' ' ' VAL . 10.5 m -132.83 146.98 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' GLN . 6.0 t -67.77 140.43 56.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' THR . 2.1 tt0 -37.5 -46.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -43.55 -54.71 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.63 ' CD1' HG21 ' A' ' 76' ' ' VAL . 49.1 t80 -50.14 -57.11 8.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.587 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.33 -49.38 69.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.17 56.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.3 m -62.66 -51.52 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.448 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 88' ' ' THR . 72.7 t -52.77 -55.04 13.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.598 HD11 HG21 ' A' ' 26' ' ' ILE . 53.6 mt -53.98 -25.54 21.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -87.59 -19.96 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -80.72 -38.55 28.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 84' ' ' VAL . 80.3 p -42.18 164.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.554 ' O ' ' C ' ' A' ' 90' ' ' GLY . 3.0 mtmp? -132.81 -168.32 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -23.58 -82.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.58 135.83 34.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 0.728 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 18.9 t -135.91 139.92 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 107.79 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CD1' HG22 ' A' ' 68' ' ' VAL . 97.8 m-85 -102.07 122.48 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.4 t -99.27 94.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.972 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.9 mm -79.52 153.22 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -124.57 105.1 0.84 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -115.31 156.8 24.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.98 110.48 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 25.1 p90 -131.22 136.82 29.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.2 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 59' ' ' ILE . 42.4 t -116.0 118.11 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.87 139.41 34.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.632 ' CD1' HD12 ' A' ' 59' ' ' ILE . 6.5 mt -141.99 143.2 33.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.76 108.27 17.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.447 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 26.9 mttt -40.06 156.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.006 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -123.44 176.73 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -50.3 -20.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -106.2 -22.86 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 125.18 -139.76 11.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.654 HD21 HG21 ' A' ' 92' ' ' VAL . 23.8 mt -69.31 -54.93 12.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.96 47.04 5.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.591 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 10.2 pt -138.54 152.28 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 0.8 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.15 143.6 42.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.505 HG21 HD11 ' A' ' 85' ' ' LEU . 1.7 pt -120.31 175.73 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.526 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -153.13 137.63 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.78 112.19 4.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.449 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.9 mmm -133.29 160.83 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -106.1 111.69 3.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.405 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.6 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.74 97.01 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 76' ' ' VAL . 6.1 tp -51.29 124.13 11.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -105.63 118.85 5.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 81' ' ' ALA . 20.5 mm -83.54 101.74 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.526 ' HB2' HG23 ' A' ' 27' ' ' ILE . 91.1 m-85 -100.22 162.22 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' ASP . 13.0 t -90.71 102.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -54.34 -44.23 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.72 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.2 t -170.83 177.84 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 110.401 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.419 ' N ' ' OG1' ' A' ' 46' ' ' THR . 74.8 t -125.91 129.5 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -58.0 134.01 56.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -70.75 106.07 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.55 29.07 10.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.72 -170.08 35.59 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 1.006 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -72.3 -52.92 14.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.591 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -61.76 -40.0 93.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -61.6 -68.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -43.22 -47.67 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -49.52 -56.59 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 91.35 8.93 63.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' HG3' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -91.07 -67.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 0.788 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 94' ' ' PHE . 13.7 mt -68.79 118.81 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 22.2 mm-40 -104.84 174.83 5.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.72 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.1 t -76.81 150.94 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 7.9 m-80 75.75 1.46 3.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 96' ' ' ILE . 19.3 m-20 -65.0 152.41 43.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -112.94 111.22 21.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.536 ' CG2' HD12 ' A' ' 73' ' ' LEU . 23.9 mt -78.66 91.3 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.6 t -68.6 -38.67 79.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 10.4 tt0 -145.77 156.82 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.627 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -141.95 116.75 5.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 53.35 20.39 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.413 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.75 -29.23 9.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.599 HD12 HG13 ' A' ' 84' ' ' VAL . 61.3 mt -66.13 137.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.08 125.05 36.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.662 HD23 ' HE1' ' A' ' 80' ' ' PHE . 66.7 mt -108.55 39.96 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.843 ' O ' HG13 ' A' ' 76' ' ' VAL . 90.7 t -110.41 142.04 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.36 46.16 44.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.843 HG13 ' O ' ' A' ' 74' ' ' VAL . 4.4 m -135.17 151.54 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 80' ' ' PHE . 7.0 t -68.59 140.46 55.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -39.12 -41.12 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.26 -58.43 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.729 ' CD1' HG21 ' A' ' 76' ' ' VAL . 51.9 t80 -42.76 -56.64 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.52 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -54.09 -48.8 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.18 -44.08 64.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.3 m -63.02 -52.96 60.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 88' ' ' THR . 72.3 t -52.66 -54.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.505 HD11 HG21 ' A' ' 26' ' ' ILE . 38.2 mt -55.48 -23.65 27.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 mtp85 -89.92 -20.21 23.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' THR . 1.1 m120 -79.16 -41.33 28.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 84' ' ' VAL . 68.7 p -44.12 168.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.424 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.633 ' O ' ' C ' ' A' ' 90' ' ' GLY . 15.5 mtmt -138.66 -171.14 3.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.633 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -14.5 -84.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.27 139.41 35.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.654 HG21 HD21 ' A' ' 22' ' ' LEU . 44.3 t -141.55 128.16 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -99.88 109.69 22.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.649 ' HB2' HD11 ' A' ' 59' ' ' ILE . 98.5 m-85 -104.08 120.37 40.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 95' ' ' VAL . 3.2 t -96.51 95.5 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.8 mm -82.59 157.63 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.56 103.87 1.0 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -95.46 153.88 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.4 tt0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.603 HD22 ' N ' ' A' ' 10' ' ' LEU . 1.2 mm? -92.9 111.53 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.2 p90 -133.2 134.71 24.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.2 Cg_endo -74.97 135.93 19.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG11 HG13 ' A' ' 59' ' ' ILE . 46.6 t -128.28 119.98 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.54 133.61 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.532 ' CD1' HD12 ' A' ' 59' ' ' ILE . 1.7 mt -134.29 134.86 42.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.48 122.77 44.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 57.3 mttt -60.99 150.96 31.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.872 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -125.34 175.44 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.29 -28.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.0 t70 -118.04 51.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 56.01 -142.94 37.81 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 92' ' ' VAL . 1.9 mt -71.14 -57.09 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.6 50.36 1.69 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.765 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -142.98 157.96 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 m -110.13 153.97 23.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.491 HG21 HD11 ' A' ' 85' ' ' LEU . 2.1 pt -132.67 155.93 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.583 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -133.77 141.19 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.83 117.38 5.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.74 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.1 mmm -133.71 155.26 50.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.59 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -97.26 104.0 2.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.42 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -126.91 96.9 4.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -47.66 131.57 14.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.42 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -115.35 121.26 5.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.404 HG13 ' HB2' ' A' ' 81' ' ' ALA . 13.4 mm -85.91 104.46 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.797 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.583 ' HB2' HG23 ' A' ' 27' ' ' ILE . 90.0 m-85 -104.77 163.84 12.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.7 t -88.09 110.04 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -63.51 -41.58 98.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.607 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.5 t -170.14 177.83 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 24' ' ' ILE . 79.9 t -131.63 122.57 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -54.28 133.83 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.36 95.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.55 16.09 12.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.25 173.66 54.38 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.872 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -62.82 -45.66 91.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.765 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -66.48 -34.09 77.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.48 -59.76 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -46.76 -48.74 20.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -53.17 -51.81 60.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.59 -32.39 5.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -48.13 -67.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.55 HG13 HG11 ' A' ' 13' ' ' VAL . 70.2 mt -67.29 130.25 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -123.5 168.04 13.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.607 HG22 ' HA ' ' A' ' 46' ' ' THR . 82.8 t -69.97 152.35 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.6 m-80 77.34 -0.6 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 26.5 m-20 -65.18 169.3 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 37.2 tt0 -129.3 112.29 13.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.515 ' CG2' HD12 ' A' ' 73' ' ' LEU . 8.5 mt -80.93 89.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.519 HG21 HD12 ' A' ' 10' ' ' LEU . 57.0 t -66.67 -38.68 82.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.4 tt0 -145.66 158.59 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.83 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -143.3 118.66 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 52.05 21.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.407 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.71 -27.89 12.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.557 HG21 ' CG2' ' A' ' 84' ' ' VAL . 62.6 mt -65.7 136.71 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 t -92.12 121.33 33.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.66 HD23 ' HE2' ' A' ' 80' ' ' PHE . 78.7 mt -104.7 37.47 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 76' ' ' VAL . 94.0 t -107.3 140.04 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 54.2 42.42 72.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 74' ' ' VAL . 10.2 m -135.73 144.21 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 78' ' ' GLN . 6.0 t -67.92 142.83 55.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.392 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -36.82 -48.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -41.48 -62.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.725 ' CD2' HG21 ' A' ' 76' ' ' VAL . 51.4 t80 -43.49 -52.75 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -55.06 -55.91 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -41.71 -49.84 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 87' ' ' ASN . 52.9 m -55.79 -52.78 62.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.83 HG12 HG11 ' A' ' 68' ' ' VAL . 90.4 t -52.09 -53.76 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 26' ' ' ILE . 24.4 mt -61.62 -20.66 63.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 3.9 ttt180 -87.99 -26.73 22.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.9 m120 -81.16 -38.2 27.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.471 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 2.2 p -37.18 155.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.599 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.4 mptt -126.37 -175.48 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.12 -80.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -82.36 141.31 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 0.806 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.572 HG21 HD21 ' A' ' 22' ' ' LEU . 44.5 t -141.63 131.13 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.46 105.42 16.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.624 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 95.6 m-85 -99.91 122.24 42.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.7 t -100.04 93.37 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.598 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.6 mm -79.91 157.77 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -123.5 103.96 0.82 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -101.88 154.36 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.1 tt0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -93.5 110.76 22.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.3 p90 -131.58 133.7 24.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.86 15.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' PHE . 24.1 t -122.19 117.6 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -81.74 119.79 24.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.572 ' CD1' HD12 ' A' ' 59' ' ' ILE . 4.0 mt -119.97 137.93 53.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -105.37 108.48 20.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 31.5 mttt -38.85 156.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.812 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 14.4 m-20 -124.07 176.22 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -48.47 -22.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.8 -24.01 13.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.93 -131.77 8.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.7 HD22 ' HZ ' ' A' ' 94' ' ' PHE . 17.0 mt -69.05 -53.68 19.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.07 48.44 6.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.434 1.084 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.605 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 5.7 pt -145.35 157.99 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.41 150.94 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.618 HG21 HD11 ' A' ' 85' ' ' LEU . 1.8 pt -128.54 167.92 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -145.55 142.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.56 113.88 4.74 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.2 mmm -132.51 161.95 32.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.82 108.62 2.78 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.557 1.161 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.469 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.2 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -127.62 97.01 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.4 tp -52.11 122.94 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -105.12 118.92 6.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.473 HG13 ' HB2' ' A' ' 81' ' ' ALA . 17.5 mm -83.01 109.45 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.484 ' HB2' HG23 ' A' ' 27' ' ' ILE . 94.3 m-85 -108.33 163.53 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 61' ' ' VAL . 12.5 t -88.49 109.19 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -62.09 -41.95 98.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.713 ' HA ' HG22 ' A' ' 61' ' ' VAL . 3.2 t -169.99 178.6 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.438 ' N ' ' OG1' ' A' ' 46' ' ' THR . 95.9 t -128.39 127.31 67.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -57.3 134.95 56.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.427 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -74.69 99.85 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.06 41.47 2.61 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.2 -164.4 20.26 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.812 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -81.35 -51.44 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.234 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.605 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -61.63 -42.9 99.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -61.17 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtm-85 -45.35 -50.81 11.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.37 -51.48 54.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.37 9.07 70.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.457 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -85.65 -66.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.572 HD12 ' CD1' ' A' ' 15' ' ' LEU . 22.1 mt -68.49 119.81 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 6.4 mm-40 -106.7 174.95 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.5 t -78.87 148.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.5 m-80 77.03 0.83 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.437 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 18.5 m-20 -63.88 172.24 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 34.0 tt0 -129.41 116.35 18.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.677 ' CG2' HD12 ' A' ' 73' ' ' LEU . 44.6 mt -84.02 91.43 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.88 -45.21 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 2.5 tt0 -141.06 158.84 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.648 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.66 119.11 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.493 ' OD2' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER 53.81 19.7 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.412 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.11 -26.77 14.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.51 ' CD1' HG13 ' A' ' 84' ' ' VAL . 81.2 mt -66.71 147.45 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t -100.24 124.63 45.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.715 HD23 ' HE2' ' A' ' 80' ' ' PHE . 81.9 mt -107.16 36.68 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 76' ' ' VAL . 95.1 t -107.97 140.6 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.1 42.84 62.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 74' ' ' VAL . 12.8 m -132.43 148.41 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 4.8 t -68.72 142.89 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' THR . 7.9 tt0 -38.74 -45.98 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.504 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 88.4 m-20 -44.23 -62.01 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.715 ' HE2' HD23 ' A' ' 73' ' ' LEU . 78.7 t80 -42.22 -58.49 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.498 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -50.53 -41.64 54.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 79' ' ' ASN . . . -61.59 -39.86 92.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -68.29 -52.42 33.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.589 HG12 HG11 ' A' ' 68' ' ' VAL . 81.9 t -52.65 -54.85 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.618 HD11 HG21 ' A' ' 26' ' ' ILE . 70.3 mt -54.96 -26.88 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -85.45 -21.57 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -77.13 -41.83 40.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 84' ' ' VAL . 70.7 p -42.35 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.62 ' O ' ' C ' ' A' ' 90' ' ' GLY . 52.2 mmtt -137.67 -168.22 2.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.14 -85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.03 140.22 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.55 HG21 HD21 ' A' ' 22' ' ' LEU . 21.3 t -138.35 136.47 44.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.94 109.43 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.7 ' HZ ' HD22 ' A' ' 22' ' ' LEU . 99.4 m-85 -104.42 122.91 46.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 95' ' ' VAL . 5.5 t -100.78 93.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.595 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 mm -80.06 155.19 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.49 107.69 1.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -101.23 146.27 27.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 110.314 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 98' ' ' ARG . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.475 HD12 HG21 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -93.87 111.01 22.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.087 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 14.2 p90 -131.26 131.97 23.38 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.407 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -75.03 125.21 9.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.569 1.826 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' PHE . 24.8 t -116.86 120.16 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.29 139.49 35.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.651 HD11 ' HA ' ' A' ' 53' ' ' ALA . 7.0 mt -141.4 138.25 32.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -104.19 110.46 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 27.1 mttt -40.39 155.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.883 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -122.33 176.44 5.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -49.65 -21.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -103.95 -23.02 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.3 -137.76 11.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.855 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 45.5 mt -62.48 -51.5 67.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 0.806 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 24' ' ' ILE . . . 80.71 55.18 3.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.79 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.2 pt -155.06 160.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 m -116.09 144.58 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.648 HG21 HD11 ' A' ' 85' ' ' LEU . 1.5 pt -123.01 163.16 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.669 HG23 ' HB2' ' A' ' 43' ' ' PHE . 4.9 tt -141.3 143.89 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.86 112.81 4.54 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.448 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -132.4 140.38 48.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.974 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.666 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -84.86 111.23 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.407 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -126.83 97.04 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.666 HD22 ' HA2' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -48.65 131.69 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.407 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.14 120.26 5.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.535 HG13 ' HB2' ' A' ' 81' ' ' ALA . 18.4 mm -84.07 104.7 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.669 ' HB2' HG23 ' A' ' 27' ' ' ILE . 94.0 m-85 -103.27 163.29 12.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 61' ' ' VAL . 28.5 t -91.2 106.1 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -61.6 -41.38 97.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.773 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.6 t -170.57 170.24 6.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.553 HG22 HG22 ' A' ' 24' ' ' ILE . 73.8 t -122.47 121.3 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.48 142.06 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.77 115.57 14.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.08 29.24 51.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.25 -155.5 31.21 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.883 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -86.31 -61.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.79 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -59.85 -25.11 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.41 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.3 tm0? -69.63 -60.86 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -49.07 -50.64 35.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.452 ' HB2' HD21 ' A' ' 15' ' ' LEU . 25.8 t0 -49.88 -56.52 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.33 -22.39 41.05 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.508 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 4.5 mmm180 -59.74 -65.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.648 HD12 ' CD1' ' A' ' 15' ' ' LEU . 33.5 mt -68.44 101.29 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.458 ' N ' ' OD2' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -98.41 171.94 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.773 HG22 ' HA ' ' A' ' 46' ' ' THR . 54.5 t -69.36 148.9 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.3 m-80 76.75 0.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 60' ' ' GLN . 12.0 m-20 -65.82 148.95 50.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 45.3 tt0 -110.76 113.26 25.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.545 ' CG2' HD12 ' A' ' 73' ' ' LEU . 9.2 mt -80.87 92.38 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.475 HG21 HD12 ' A' ' 10' ' ' LEU . 43.8 t -68.91 -38.69 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 5.7 tt0 -145.89 158.77 43.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.607 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.58 117.79 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.69 21.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.428 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.96 -27.97 12.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.465 HD12 HG13 ' A' ' 84' ' ' VAL . 70.9 mt -65.94 137.73 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.1 t -91.47 126.26 36.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.657 HD23 ' HE2' ' A' ' 80' ' ' PHE . 79.9 mt -110.93 39.36 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 76' ' ' VAL . 76.6 t -111.94 134.87 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.34 37.66 94.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.713 HG21 ' CD2' ' A' ' 80' ' ' PHE . 10.6 m -130.62 145.4 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' GLN . 8.0 t -68.14 141.15 56.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.401 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -35.95 -48.25 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -42.21 -59.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.713 ' CD2' HG21 ' A' ' 76' ' ' VAL . 66.4 t80 -46.23 -56.98 4.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -53.14 -48.03 68.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.81 -44.53 66.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -64.68 -49.02 72.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.574 HG12 HG11 ' A' ' 68' ' ' VAL . 73.9 t -54.82 -54.75 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 26' ' ' ILE . 76.4 mt -54.14 -27.04 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -83.83 -23.33 31.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 88' ' ' THR . 5.5 m-80 -75.11 -45.75 39.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.545 ' HB ' HG22 ' A' ' 92' ' ' VAL . 69.0 p -39.77 160.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 90' ' ' GLY . 10.0 mmtp -132.48 -170.77 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.13 -82.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -81.93 137.74 35.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.566 HG21 HD21 ' A' ' 22' ' ' LEU . 38.6 t -139.27 132.3 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.407 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -102.79 104.71 15.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.627 ' HZ ' HD22 ' A' ' 22' ' ' LEU . 94.3 m-85 -98.1 121.18 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.1 t -98.85 92.81 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.1 mm -81.66 156.38 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 9' ' ' GLU . . . -116.39 102.49 1.06 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.554 ' HD2' ' CE1' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -91.54 150.89 20.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.763 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 66' ' ' VAL . 42.9 mt -93.47 111.24 22.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 23.4 p90 -132.92 132.43 22.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.82 12.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.752 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 94' ' ' PHE . 31.4 t -119.2 123.25 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -81.74 136.27 35.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.7 mt -136.28 132.18 35.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.95 98.3 9.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.76 ' HG2' HD23 ' A' ' 22' ' ' LEU . 1.4 mtpt -40.65 159.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' GLY . 12.8 m-20 -122.18 176.44 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -49.18 -22.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 15.7 t0 -100.19 -25.17 14.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 126.46 -141.3 12.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.76 HD23 ' HG2' ' A' ' 17' ' ' LYS . 29.8 mt -63.07 -53.78 48.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.02 43.17 6.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.748 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.3 pt -143.85 165.0 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -119.69 145.58 46.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.983 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.582 HG21 HD11 ' A' ' 85' ' ' LEU . 2.1 pt -118.36 179.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.56 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -155.69 139.18 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.23 109.39 3.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.474 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.6 mmm -129.82 160.85 32.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.0 111.88 3.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 39' ' ' LYS . 1.4 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.7 mmtm -127.5 110.1 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -70.53 116.1 10.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.5 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -96.55 121.71 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.8 111.09 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.56 ' HB2' HG23 ' A' ' 27' ' ' ILE . 77.0 m-85 -109.02 164.79 12.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.894 HG23 ' OD1' ' A' ' 63' ' ' ASP . 44.2 t -88.42 106.15 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -58.32 -42.2 86.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.58 ' HA ' HG22 ' A' ' 61' ' ' VAL . 6.7 t -170.83 176.44 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.534 HG23 HG22 ' A' ' 61' ' ' VAL . 88.2 t -129.38 123.75 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -59.58 134.77 57.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.97 108.28 5.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.67 14.93 35.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.24 -165.17 37.41 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -81.3 -57.53 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.748 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -56.98 -33.95 67.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -64.81 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -41.02 -46.64 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -60.42 -49.02 79.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 90.07 -36.77 3.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -38.38 -67.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.276 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.8 mt -67.43 136.12 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 10.3 mm-40 -120.35 177.08 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.352 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.0 t -84.96 147.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 12.8 m-80 78.29 2.7 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.894 ' OD1' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -64.99 179.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.46 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 13.3 tt0 -131.71 113.98 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.67 ' CG2' HD12 ' A' ' 73' ' ' LEU . 10.6 mt -85.14 86.71 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.568 HG13 HG21 ' A' ' 74' ' ' VAL . 53.2 t -63.85 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 2.5 tt0 -145.68 159.5 43.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.36 113.29 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 93' ' ' ARG . 12.2 t0 57.43 26.58 12.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 102.58 -27.35 20.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.653 HG21 HG21 ' A' ' 84' ' ' VAL . 97.6 mt -65.91 141.52 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -96.91 121.98 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.67 HD12 ' CG2' ' A' ' 65' ' ' ILE . 14.8 mt -105.53 26.66 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.568 HG21 HG13 ' A' ' 66' ' ' VAL . 71.0 t -104.22 132.72 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.41 33.08 83.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.567 HG21 ' CD1' ' A' ' 80' ' ' PHE . 6.0 m -129.29 150.65 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 80' ' ' PHE . 10.2 t -68.51 140.62 55.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -40.83 -35.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.5 -54.27 45.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.567 ' CD1' HG21 ' A' ' 76' ' ' VAL . 22.7 t80 -48.36 -55.08 11.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.67 -47.26 73.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.94 77.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.9 m -61.87 -48.56 79.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.653 HG21 HG21 ' A' ' 71' ' ' ILE . 39.6 t -56.35 -57.61 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 26' ' ' ILE . 57.2 mt -51.63 -25.39 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -86.0 -23.47 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' VAL . 6.2 m-80 -80.62 -35.81 33.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 84' ' ' VAL . 44.0 p -43.59 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 90' ' ' GLY . 2.0 mmpt? -134.19 -169.38 2.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -23.95 -82.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.16 137.67 35.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.528 HG21 HD21 ' A' ' 22' ' ' LEU . 22.8 t -141.02 132.46 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -100.15 124.84 46.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.658 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 80.3 m-85 -114.78 121.04 42.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 95' ' ' VAL . 4.8 t -96.46 91.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.693 HG23 ' OD2' ' A' ' 63' ' ' ASP . 2.3 mm -80.28 154.25 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.97 108.43 1.46 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.98 148.56 26.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.7 tt0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.616 HD22 ' N ' ' A' ' 10' ' ' LEU . 1.1 mm? -93.86 111.29 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.604 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 21.6 p90 -133.95 134.21 22.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.2 Cg_endo -74.99 131.38 14.24 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.423 1.749 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' PHE . 21.8 t -121.45 128.49 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.472 ' CG ' ' NE ' ' A' ' 93' ' ' ARG . 6.9 mt-10 -86.44 145.53 26.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 15' ' ' LEU . 5.8 mt -150.42 135.93 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.35 123.3 47.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 88' ' ' THR . 65.9 mttt -56.68 149.22 18.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.7 ' OD2' ' HB2' ' A' ' 52' ' ' ALA . 6.0 m-20 -124.81 176.25 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -39.52 -29.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ASP . 33.9 t0 -118.43 51.36 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 53.5 -137.15 39.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.726 HD21 HG21 ' A' ' 92' ' ' VAL . 2.8 mt -75.16 -53.0 9.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.3 49.32 3.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.752 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -138.51 152.98 25.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 0.731 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -109.0 140.67 42.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.671 HG21 ' CD1' ' A' ' 85' ' ' LEU . 1.4 pt -116.18 158.39 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.632 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -135.66 135.35 51.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.87 107.93 3.61 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.467 ' CG ' HG12 ' A' ' 27' ' ' ILE . 2.1 mmm -128.64 160.96 30.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -100.91 112.4 4.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.411 HG21 ' HA3' ' A' ' 41' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HD2' HG12 ' A' ' 74' ' ' VAL . 7.7 mttt -127.59 99.4 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.455 HD12 ' HA2' ' A' ' 30' ' ' GLY . 5.4 tp -59.27 129.04 40.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.411 ' HA3' HG21 ' A' ' 31' ' ' VAL . . . -106.37 126.0 8.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.408 HG13 ' HB2' ' A' ' 81' ' ' ALA . 26.7 mm -87.72 100.16 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.632 ' HB2' HG23 ' A' ' 27' ' ' ILE . 88.9 m-85 -101.95 163.85 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.591 HG21 ' OD2' ' A' ' 63' ' ' ASP . 21.3 t -92.1 101.67 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -55.45 -42.76 74.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.776 ' HA ' HG22 ' A' ' 61' ' ' VAL . 3.6 t -170.75 171.4 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.579 HG22 HG22 ' A' ' 24' ' ' ILE . 86.6 t -125.41 123.22 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -50.91 138.71 18.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -72.22 115.74 11.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 37.57 16.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.36 -169.57 28.01 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.7 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . . . -80.01 -38.99 30.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.752 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -74.94 -33.01 61.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -66.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -42.52 -37.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -56.59 -56.59 19.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.45 -36.0 4.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.506 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -47.31 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 0.805 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.9 mt -67.8 131.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 12.8 mt-30 -130.44 150.76 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.776 HG22 ' HA ' ' A' ' 46' ' ' THR . 90.2 t -42.35 150.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.8 m-80 76.97 0.7 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.977 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -64.22 142.11 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.479 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 32.0 tt0 -110.01 106.61 16.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.742 HG22 HD12 ' A' ' 73' ' ' LEU . 11.9 mt -79.37 88.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.89 -36.79 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.5 tt0 -144.26 158.64 43.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.585 HG23 ' CG2' ' A' ' 65' ' ' ILE . 1.2 t -143.35 117.66 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 53.06 21.16 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.76 -28.58 11.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.522 HG21 ' CG2' ' A' ' 84' ' ' VAL . 36.0 mt -66.03 136.16 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -89.56 136.5 32.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.742 HD12 HG22 ' A' ' 65' ' ' ILE . 57.9 mt -121.54 41.88 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 76' ' ' VAL . 91.6 t -110.88 131.59 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.27 81.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 74' ' ' VAL . 4.4 m -118.2 145.85 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.746 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' GLN . 3.1 t -68.79 140.52 55.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' THR . 4.4 tt0 -38.68 -42.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -51.69 -58.2 7.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 4.6 t80 -45.08 -54.9 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.408 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -52.91 -57.95 8.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' ALA . . . -40.02 -50.76 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' ASN . 85.7 m -55.22 -51.95 64.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.581 HG12 HG11 ' A' ' 68' ' ' VAL . 25.0 t -53.17 -57.76 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.671 ' CD1' HG21 ' A' ' 26' ' ' ILE . 33.7 mt -58.26 -19.92 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.43 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 1.7 ttt180 -89.28 -25.6 21.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 83' ' ' THR . 1.4 m120 -81.73 -35.71 29.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.476 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 1.9 p -40.11 161.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.579 ' O ' ' C ' ' A' ' 90' ' ' GLY . 5.7 mmpt? -133.17 -170.61 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -20.27 -82.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -80.68 140.19 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.726 HG21 HD21 ' A' ' 22' ' ' LEU . 47.3 t -141.61 117.97 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.472 ' NE ' ' CG ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -91.57 110.99 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.597 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 97.2 m-85 -104.6 123.71 48.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.6 t -98.81 93.99 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.977 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.4 mm -79.58 156.2 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.66 102.4 0.66 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -105.38 154.28 20.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.7 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.685 HD22 HG21 ' A' ' 66' ' ' VAL . 25.8 mt -93.34 110.84 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 21.3 p90 -127.88 132.46 24.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.402 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -75.01 130.97 13.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' PHE . 40.7 t -122.36 119.07 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.77 134.8 35.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.599 ' CD1' HD12 ' A' ' 59' ' ' ILE . 6.9 mt -135.15 143.26 46.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.1 mt-10 -108.09 109.49 20.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 29.4 mttt -38.5 152.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.832 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 3.0 m-20 -121.76 176.92 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -47.71 -24.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -104.29 -23.11 13.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.38 -132.05 8.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.601 HD22 ' HZ ' ' A' ' 94' ' ' PHE . 22.3 mt -66.2 -52.57 46.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.774 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 24' ' ' ILE . . . 82.05 51.41 4.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.686 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 12.7 pt -151.81 152.13 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.69 147.77 31.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 85' ' ' LEU . 1.2 pt -125.81 160.74 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.641 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -135.61 139.96 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.88 117.2 5.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.746 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.7 mmm -135.48 153.53 51.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.598 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -97.4 107.32 3.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.436 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.9 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.0 97.07 4.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -49.47 130.51 20.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.436 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -113.05 120.35 5.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.463 HG13 ' HB2' ' A' ' 81' ' ' ALA . 22.9 mm -86.36 102.73 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.641 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.3 m-85 -102.56 164.06 11.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 61' ' ' VAL . 10.3 t -91.65 104.2 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -56.77 -43.13 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.725 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.8 t -170.29 175.24 4.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.41 ' N ' ' OG1' ' A' ' 46' ' ' THR . 70.8 t -123.82 125.27 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -55.51 150.81 11.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.95 111.82 18.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.82 11.67 61.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.68 -170.85 6.46 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.832 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -81.63 -46.27 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.686 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -68.19 -34.45 76.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.71 -59.35 5.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -49.98 -51.36 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -46.43 -56.22 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.449 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 92.42 11.42 59.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -92.81 -65.92 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' A' ' 15' ' ' LEU . 23.5 mt -68.69 115.78 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 15.6 mm-40 -104.74 174.69 5.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 46' ' ' THR . 52.4 t -74.92 149.42 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 8.9 m-80 76.63 0.52 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 14.6 m-20 -62.64 159.93 15.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 39.2 tt0 -121.35 110.17 15.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.522 ' CG2' HG23 ' A' ' 68' ' ' VAL . 7.8 mt -77.85 88.59 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.685 HG21 HD22 ' A' ' 10' ' ' LEU . 56.2 t -65.0 -38.03 81.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.9 tt0 -147.12 155.17 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.84 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -139.97 118.47 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 52.04 21.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.415 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.41 -27.59 15.0 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.581 HG21 ' CG2' ' A' ' 84' ' ' VAL . 42.9 mt -66.81 140.47 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -94.51 128.4 41.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.728 HD21 HG11 ' A' ' 84' ' ' VAL . 17.3 mt -112.13 39.29 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.665 ' O ' HG13 ' A' ' 76' ' ' VAL . 83.1 t -111.38 139.45 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.17 42.71 88.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 74' ' ' VAL . 10.9 m -137.57 145.03 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' GLN . 9.9 t -68.42 143.45 55.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' THR . 13.3 tt0 -37.94 -47.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.44 -57.73 2.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' A' ' 76' ' ' VAL . 8.6 t80 -50.45 -51.93 42.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.29 -51.05 65.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.59 -47.13 28.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 87' ' ' ASN . 82.7 m -57.18 -53.02 62.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.456 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.84 HG12 HG11 ' A' ' 68' ' ' VAL . 99.5 t -52.04 -55.93 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 26' ' ' ILE . 34.9 mt -61.03 -20.13 62.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -88.46 -25.09 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' THR . 1.4 m120 -81.98 -37.58 26.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 84' ' ' VAL . 6.5 p -37.05 150.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.58 ' O ' ' C ' ' A' ' 90' ' ' GLY . 19.6 mttt -125.17 -171.34 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -20.29 -82.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -82.94 141.43 32.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.527 HG21 HD21 ' A' ' 22' ' ' LEU . 40.9 t -141.12 133.63 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.402 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -104.29 106.27 16.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.623 ' CD1' HG22 ' A' ' 68' ' ' VAL . 95.6 m-85 -100.3 120.6 40.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -100.31 92.7 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.631 HD13 ' N ' ' A' ' 96' ' ' ILE . 2.3 mm -80.38 158.9 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -122.69 119.45 3.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -118.44 150.63 39.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.449 HD13 ' HA2' ' A' ' 97' ' ' GLY . 1.4 mm? -93.8 111.16 22.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 19.9 p90 -132.36 135.27 26.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.1 Cg_endo -75.05 134.66 17.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 94' ' ' PHE . 37.4 t -126.39 126.04 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -85.47 147.4 26.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.758 HD22 ' HB1' ' A' ' 52' ' ' ALA . 4.6 mt -150.28 134.11 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -104.09 108.76 20.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.453 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 64.4 mttt -41.63 145.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.686 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -118.65 175.7 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -41.49 -27.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 18' ' ' ASP . 6.0 t70 -118.57 49.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 58.56 -147.93 38.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.642 HD21 HG21 ' A' ' 92' ' ' VAL . 4.5 mt -61.84 -58.46 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.94 52.47 1.18 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.765 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.1 pt -150.86 158.41 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 m -116.03 146.64 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.52 HG21 HD11 ' A' ' 85' ' ' LEU . 1.3 pt -121.97 162.52 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.616 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -136.47 139.52 45.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.55 114.35 4.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.674 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.5 mmm -132.26 152.76 51.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.62 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -93.38 108.59 3.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -127.51 119.47 26.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -71.75 129.47 38.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' MET . . . -105.46 138.09 14.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.609 HG13 ' HB2' ' A' ' 81' ' ' ALA . 21.6 mm -102.32 96.82 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.616 ' HB2' HG23 ' A' ' 27' ' ' ILE . 90.8 m-85 -100.52 163.36 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.593 HG21 ' OD2' ' A' ' 63' ' ' ASP . 23.1 t -91.32 106.85 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -60.32 -41.14 92.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.731 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.5 t -170.41 174.43 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 24' ' ' ILE . 80.8 t -123.98 126.74 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -54.17 148.83 10.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.45 103.04 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.34 7.74 51.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.02 -174.72 27.57 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.758 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -70.98 -62.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 0.705 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.765 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -53.29 -29.11 31.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -70.74 -62.77 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -56.25 -30.54 62.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -65.58 -51.95 55.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.43 -35.0 4.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.536 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -46.06 -70.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.5 mt -67.56 133.92 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -130.84 148.11 52.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.731 HG22 ' HA ' ' A' ' 46' ' ' THR . 97.0 t -40.97 150.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.0 m-80 76.89 0.41 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.957 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -63.44 142.7 58.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.474 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 36.0 tt0 -109.88 105.42 14.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.641 ' CG2' HG23 ' A' ' 68' ' ' VAL . 7.5 mt -76.86 85.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.556 HG13 HG21 ' A' ' 74' ' ' VAL . 58.9 t -63.18 -38.9 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 9.3 tt0 -143.94 155.56 44.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.641 HG23 ' CG2' ' A' ' 65' ' ' ILE . 1.2 t -140.78 119.71 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 51.44 21.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.411 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.92 -28.37 12.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.589 HD12 HG13 ' A' ' 84' ' ' VAL . 68.8 mt -66.05 136.61 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t -92.09 123.02 35.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.581 HD23 ' HE1' ' A' ' 80' ' ' PHE . 45.1 mt -107.58 35.88 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.652 ' O ' HG13 ' A' ' 76' ' ' VAL . 48.6 t -106.82 138.04 34.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.1 42.08 86.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.709 HG21 ' CD1' ' A' ' 80' ' ' PHE . 14.0 m -135.37 144.7 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 80' ' ' PHE . 9.0 t -66.71 138.18 57.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 110.379 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' THR . 8.5 tt0 -36.12 -45.94 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.35 -51.29 6.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.709 ' CD1' HG21 ' A' ' 76' ' ' VAL . 45.7 t80 -57.29 -53.31 59.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.609 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -56.19 -45.37 79.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.92 73.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.5 m -62.51 -51.22 68.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.6 HG12 HG11 ' A' ' 68' ' ' VAL . 76.3 t -53.72 -56.77 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.52 HD11 HG21 ' A' ' 26' ' ' ILE . 70.4 mt -52.89 -27.2 17.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -85.17 -23.65 28.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 84' ' ' VAL . 6.5 m-20 -75.77 -41.88 51.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 84' ' ' VAL . 64.2 p -43.81 163.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.597 ' O ' ' C ' ' A' ' 90' ' ' GLY . 6.0 mmtt -134.48 -169.32 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.35 -80.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -81.93 138.09 35.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.77 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.642 HG21 HD21 ' A' ' 22' ' ' LEU . 36.9 t -141.28 133.46 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.4 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -104.66 106.97 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.62 ' CD1' HG22 ' A' ' 68' ' ' VAL . 99.1 m-85 -100.92 123.37 45.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -99.99 94.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.957 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.7 mm -80.17 156.12 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.449 ' HA2' HD13 ' A' ' 10' ' ' LEU . . . -124.83 102.8 0.7 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -104.56 154.5 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.237 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 6.9 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.598 HD23 ' HA2' ' A' ' 97' ' ' GLY . 37.7 mt -99.13 110.39 22.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.55 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 4.6 p90 -126.19 135.57 27.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.5 10.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.6 t -117.99 124.02 72.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -83.76 144.31 29.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 15' ' ' LEU . 7.3 mt -146.71 138.29 24.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -106.92 114.94 29.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 21.9 mttt -41.4 147.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -115.83 175.83 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -48.09 -23.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -105.72 -22.17 13.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 121.41 -137.0 11.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 93.1 mt -59.24 -57.66 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.18 51.08 3.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.739 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.2 pt -152.31 163.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.9 m -113.89 152.86 30.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.648 HG21 ' CD1' ' A' ' 85' ' ' LEU . 2.8 pt -130.34 158.22 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.478 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -138.88 137.88 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.95 112.66 4.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.2 mmm -131.13 162.67 29.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.489 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -103.82 116.61 5.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HD2' HG12 ' A' ' 74' ' ' VAL . 2.3 mmtt -127.85 97.48 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD12 ' HA2' ' A' ' 30' ' ' GLY . 5.7 tp -54.32 124.37 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -103.46 121.83 7.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.518 HG13 ' HB2' ' A' ' 81' ' ' ALA . 25.5 mm -84.06 100.31 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.478 ' HB2' HG23 ' A' ' 27' ' ' ILE . 87.6 m-85 -101.78 163.42 12.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.5 t -93.79 112.36 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -63.42 -40.85 98.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.734 ' HA ' HG22 ' A' ' 61' ' ' VAL . 8.6 t -170.49 179.88 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.437 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 24' ' ' ILE . 92.9 t -127.83 131.72 69.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -63.82 138.21 58.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.07 102.39 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.52 31.28 5.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.5 -157.67 29.7 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.996 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -89.21 -48.39 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.739 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -65.97 -33.02 74.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -65.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -40.68 -49.26 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.6 -55.28 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 92.63 -0.51 70.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.494 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -76.08 -68.48 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 110.298 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.3 mt -69.07 134.81 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 6.9 mm-40 -118.5 175.49 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' A' ' 46' ' ' THR . 53.1 t -70.62 148.68 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 12.1 m-80 77.5 3.28 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 1.029 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -61.83 142.48 57.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.506 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 36.6 tt0 -106.61 103.13 12.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.649 ' CG2' HG23 ' A' ' 68' ' ' VAL . 9.2 mt -73.24 84.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.442 HG21 HD22 ' A' ' 10' ' ' LEU . 57.7 t -62.68 -37.15 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.1 tt0 -146.12 157.23 43.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.649 HG23 ' CG2' ' A' ' 65' ' ' ILE . 1.2 t -143.18 118.32 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 52.87 20.76 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.415 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.33 -27.83 13.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.438 HG21 HG21 ' A' ' 84' ' ' VAL . 62.0 mt -66.43 136.09 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.02 122.56 34.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.998 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.567 HD23 ' HE1' ' A' ' 80' ' ' PHE . 42.3 mt -106.86 41.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.769 ' O ' HG13 ' A' ' 76' ' ' VAL . 89.6 t -109.4 139.83 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.377 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.416 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 53.23 42.42 63.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 74' ' ' VAL . 5.2 m -131.33 150.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.472 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 10.0 t -68.22 140.0 56.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -37.51 -41.07 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.19 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.685 ' CD1' HG21 ' A' ' 76' ' ' VAL . 54.5 t80 -40.1 -56.83 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -55.8 -51.52 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.01 -46.45 52.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 53.4 m -60.95 -50.38 73.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.556 HG11 HD21 ' A' ' 73' ' ' LEU . 51.2 t -54.15 -56.3 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.648 ' CD1' HG21 ' A' ' 26' ' ' ILE . 50.4 mt -53.13 -25.53 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -86.68 -24.32 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -76.85 -37.79 54.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 84' ' ' VAL . 47.6 p -41.54 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.614 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.3 mmtt -134.84 -172.05 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.65 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -80.55 138.88 36.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 31.4 t -142.02 129.63 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 68' ' ' VAL . 1.1 mpp_? -102.86 121.12 41.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.63 ' CD1' HG22 ' A' ' 68' ' ' VAL . 99.2 m-85 -113.71 121.68 44.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.7 t -94.8 94.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 1.029 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.1 mm -79.61 146.57 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.598 ' HA2' HD23 ' A' ' 10' ' ' LEU . . . -117.96 102.21 0.96 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -101.25 156.31 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.579 HD22 HG21 ' A' ' 66' ' ' VAL . 37.8 mt -93.6 111.09 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.601 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 20.8 p90 -133.05 132.59 22.42 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.28 14.13 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' PHE . 42.2 t -121.5 123.12 68.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -82.15 136.29 35.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.754 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.7 mt -138.94 133.25 31.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.58 120.86 37.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' CD ' ' O ' ' A' ' 89' ' ' LYS . 2.1 mtpt -65.42 132.55 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.8 m-20 -110.08 176.28 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -39.55 -29.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' ASP . 13.9 t70 -111.74 52.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 49.98 -133.23 28.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.665 HD22 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -78.59 -52.59 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.41 41.51 3.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.673 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -137.64 156.34 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -111.93 156.86 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.634 HG21 ' CD1' ' A' ' 85' ' ' LEU . 1.7 pt -127.81 177.79 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.575 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -153.26 139.18 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.09 109.93 3.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.496 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.6 mmm -128.19 158.51 37.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.429 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -105.31 111.28 3.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.434 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.1 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -127.57 99.6 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 29' ' ' MET . 7.4 tp -61.38 131.02 48.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.434 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -107.37 116.97 5.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.426 HG13 ' HB2' ' A' ' 81' ' ' ALA . 27.0 mm -83.92 101.76 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.575 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.6 m-85 -101.96 163.91 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 61' ' ' VAL . 12.5 t -89.52 104.56 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -55.14 -45.24 75.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.694 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.4 t -170.53 179.39 3.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.619 HG22 HG22 ' A' ' 24' ' ' ILE . 65.2 t -131.29 129.8 62.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -61.9 134.3 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.89 110.07 5.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.85 33.01 9.35 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.45 -158.48 30.79 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -88.59 -49.95 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.754 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -64.37 -36.58 84.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -65.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -41.87 -44.38 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -47.56 -55.87 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.18 -4.09 77.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.441 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.0 -64.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.341 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.481 ' CD1' HD12 ' A' ' 15' ' ' LEU . 5.8 mt -68.89 131.47 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 7.3 mm-40 -119.16 174.99 6.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.694 HG22 ' HA ' ' A' ' 46' ' ' THR . 54.0 t -79.03 148.23 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.1 m-80 77.2 0.8 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.439 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 15.7 m-20 -63.12 172.14 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -128.26 109.87 11.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.46 ' CG2' HG23 ' A' ' 68' ' ' VAL . 57.6 mt -80.92 86.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.597 HG13 HG21 ' A' ' 74' ' ' VAL . 54.6 t -62.45 -39.32 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 4.7 tt0 -146.5 156.88 43.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.646 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -142.02 114.69 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 69' ' ' ASP . 16.4 t0 55.81 28.12 11.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.31 -26.15 25.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.797 HD12 HG13 ' A' ' 84' ' ' VAL . 85.3 mt -67.05 139.62 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.404 ' C ' HD23 ' A' ' 73' ' ' LEU . 3.1 t -95.15 120.34 35.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.971 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.451 HD12 ' CG2' ' A' ' 65' ' ' ILE . 9.3 mt -104.6 27.13 8.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.597 HG21 HG13 ' A' ' 66' ' ' VAL . 77.4 t -104.51 137.07 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.24 33.19 79.21 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 74' ' ' VAL . 12.0 m -127.7 148.99 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.777 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.463 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 6.8 t -69.46 144.39 53.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' THR . 32.0 tt0 -38.57 -48.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.32 -61.69 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.578 ' CD1' HG21 ' A' ' 76' ' ' VAL . 36.1 t80 -43.26 -58.14 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -55.36 -48.45 74.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.487 ' O ' ' CG ' ' A' ' 86' ' ' ARG . . . -55.16 -45.24 75.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -57.92 -55.51 33.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.797 HG13 HD12 ' A' ' 71' ' ' ILE . 60.5 t -54.48 -62.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.634 ' CD1' HG21 ' A' ' 26' ' ' ILE . 23.7 mt -53.29 -18.26 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -93.39 -19.22 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.255 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.56 ' OD1' ' C ' ' A' ' 87' ' ' ASN . 34.3 p30 -106.26 11.95 30.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.73 ' HB ' HG21 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -67.16 141.83 57.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' ' C ' ' A' ' 90' ' ' GLY . 2.1 mmtt -99.25 -179.67 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -28.81 -84.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -82.37 133.28 35.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.73 HG21 ' HB ' ' A' ' 88' ' ' THR . 23.0 t -133.37 127.91 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -94.01 121.06 35.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.665 ' CZ ' HD22 ' A' ' 22' ' ' LEU . 89.2 m-85 -110.48 120.77 43.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 95' ' ' VAL . 6.0 t -97.34 91.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.68 HD13 ' N ' ' A' ' 96' ' ' ILE . 1.8 mm -80.92 154.04 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.18 109.14 1.83 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -100.35 139.16 36.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.617 HD22 HG21 ' A' ' 66' ' ' VAL . 21.7 mt -94.51 110.24 22.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 10.9 p90 -124.9 133.86 25.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.25 17.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 110.99 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 94' ' ' PHE . 43.8 t -127.46 118.29 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.14 139.19 34.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.632 HD11 ' HA ' ' A' ' 53' ' ' ALA . 3.6 mt -139.14 140.45 37.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 4.2 mt-10 -109.82 106.76 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.446 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 68.3 mttt -39.66 156.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.676 ' OD2' ' HB2' ' A' ' 52' ' ' ALA . 6.3 m-20 -129.9 176.35 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 20' ' ' ASP . 0.8 OUTLIER -40.75 -29.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 5.8 t0 -120.92 49.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 58.91 -142.93 45.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.565 1.165 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 1.2 mt -74.14 -56.32 5.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.0 49.25 1.94 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.732 HG22 HG22 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -141.85 152.6 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 m -107.07 155.52 19.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.666 HG21 HD11 ' A' ' 85' ' ' LEU . 1.4 pt -133.05 157.09 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -133.85 142.9 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.62 117.52 5.82 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.755 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -133.67 156.2 48.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.579 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -97.59 103.91 2.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.458 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -121.54 96.87 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -53.41 131.16 37.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.32 120.35 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.591 HG13 ' HB2' ' A' ' 81' ' ' ALA . 20.8 mm -84.14 99.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.546 ' HB2' HG23 ' A' ' 27' ' ' ILE . 93.9 m-85 -99.56 163.9 12.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 61' ' ' VAL . 11.3 t -90.36 110.49 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -61.07 -45.64 93.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.672 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.8 t -170.21 171.6 6.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.732 HG22 HG22 ' A' ' 24' ' ' ILE . 95.0 t -123.59 122.42 64.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -51.86 137.74 25.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.79 94.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.84 40.71 2.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.76 -171.96 29.08 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.676 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . . . -75.33 -45.02 42.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.715 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -69.33 -31.8 70.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.48 -65.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -40.6 -43.97 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -51.81 -55.98 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.68 -3.51 71.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.469 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -82.23 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.453 ' CD1' HD12 ' A' ' 15' ' ' LEU . 11.1 mt -67.85 123.6 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 3.0 mm-40 -112.87 175.24 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.672 HG22 ' HA ' ' A' ' 46' ' ' THR . 53.0 t -78.19 148.2 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.3 m-80 77.23 0.16 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.354 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 16.1 m-20 -61.91 171.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 31.9 tt0 -129.52 110.87 12.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.554 ' CG2' HG23 ' A' ' 68' ' ' VAL . 12.6 mt -81.04 88.06 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.617 HG21 HD22 ' A' ' 10' ' ' LEU . 44.5 t -64.13 -39.84 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 9.4 tt0 -143.83 158.65 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.686 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -143.74 118.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.2 21.25 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.404 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.12 -27.42 14.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 111.057 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.589 HD12 HG13 ' A' ' 84' ' ' VAL . 64.5 mt -66.4 136.43 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.1 t -92.45 124.12 36.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 110.014 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.669 HD23 ' HE2' ' A' ' 80' ' ' PHE . 75.8 mt -107.99 43.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.753 ' O ' HG13 ' A' ' 76' ' ' VAL . 97.5 t -111.87 139.47 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.49 41.8 64.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.753 HG13 ' O ' ' A' ' 74' ' ' VAL . 11.9 m -133.86 145.19 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 78' ' ' GLN . 10.0 t -68.24 140.87 56.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 77' ' ' THR . 12.1 tt0 -37.23 -45.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -44.18 -55.45 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.736 ' CD2' HG21 ' A' ' 76' ' ' VAL . 68.7 t80 -49.9 -56.36 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.591 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.75 -47.36 73.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.33 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.6 m -64.49 -49.42 71.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.686 HG12 HG11 ' A' ' 68' ' ' VAL . 96.5 t -54.05 -57.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.666 HD11 HG21 ' A' ' 26' ' ' ILE . 66.3 mt -52.58 -28.13 19.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -83.83 -22.38 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' VAL . 1.5 m-80 -79.42 -45.8 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.485 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 9.9 p -38.07 155.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.587 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.0 OUTLIER -128.65 -170.42 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.79 -80.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.85 138.95 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.649 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 40.1 t -141.18 132.84 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 103.47 13.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.649 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 99.3 m-85 -99.33 121.75 41.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -101.07 92.68 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.587 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.6 mm -80.31 157.08 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.04 121.77 4.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.59 144.33 44.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -94.98 110.9 22.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.6 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.35 136.12 28.16 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -74.99 134.96 18.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 94' ' ' PHE . 24.6 t -127.49 122.47 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.01 136.12 34.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.856 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.8 mt -143.07 128.52 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -95.47 127.54 41.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 40.9 mttt -62.75 149.96 42.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.65 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -121.46 175.44 6.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ASP . 10.2 pt-20 -38.69 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ASP . 5.3 t70 -119.16 53.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 56.15 -148.81 28.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -68.02 -56.55 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.3 38.04 2.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.897 HG22 HG22 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -132.35 156.48 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 m -113.62 156.1 24.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.543 HG21 HD11 ' A' ' 85' ' ' LEU . 1.9 pt -124.94 171.9 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -148.73 143.53 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.51 112.14 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.7 mmm -133.66 158.76 42.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -109.43 112.29 3.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.29 98.52 5.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 76' ' ' VAL . 5.2 tp -55.86 112.39 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -92.1 114.49 4.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 73' ' ' LEU . 18.6 mm -83.27 99.87 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.452 0.737 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 86.6 m-85 -98.7 163.49 12.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -87.63 110.42 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -61.84 -42.5 99.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.656 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.1 t -170.36 172.65 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.897 HG22 HG22 ' A' ' 24' ' ' ILE . 92.8 t -127.22 125.37 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.3 m -51.15 138.69 19.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -71.37 99.81 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.0 28.16 9.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.05 -168.46 42.86 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.65 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -72.35 -59.28 2.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.856 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -61.29 -24.85 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -65.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -47.56 -47.29 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -49.0 -55.74 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.9 -32.37 6.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -49.6 -70.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.422 ' CD1' HD12 ' A' ' 15' ' ' LEU . 7.9 mt -66.48 129.64 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -125.54 167.89 14.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.656 HG22 ' HA ' ' A' ' 46' ' ' THR . 74.5 t -68.19 151.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 14.4 m-80 79.06 -1.07 2.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.473 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 22.1 m-20 -66.38 170.57 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 16.8 tt0 -129.28 123.63 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.773 HG21 HD12 ' A' ' 73' ' ' LEU . 27.1 mt -91.71 94.66 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.7 t -74.94 -40.04 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.1 tt0 -146.16 148.31 32.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.615 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -132.9 108.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.59 11.73 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' O ' ' CD ' ' A' ' 67' ' ' GLU . . . 113.15 -12.59 24.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.456 HG21 ' CG2' ' A' ' 84' ' ' VAL . 58.3 mt -85.95 129.81 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.67 122.74 23.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.773 HD12 HG21 ' A' ' 65' ' ' ILE . 13.6 mt -104.56 -6.64 20.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.9 144.14 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.412 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 69.15 31.28 71.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.651 HG21 ' CD1' ' A' ' 80' ' ' PHE . 4.1 m -135.33 156.25 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 80' ' ' PHE . 9.8 t -68.36 138.75 55.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -41.2 -33.34 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.82 -52.23 65.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.651 ' CD1' HG21 ' A' ' 76' ' ' VAL . 8.3 t80 -51.98 -54.76 25.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.512 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -55.8 -40.87 73.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.9 88.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -68.09 -45.22 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.763 HG11 HD21 ' A' ' 73' ' ' LEU . 70.5 t -59.4 -56.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.543 HD11 HG21 ' A' ' 26' ' ' ILE . 22.1 mt -54.1 -22.51 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -87.02 -15.68 37.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 84' ' ' VAL . 4.1 m-80 -91.15 -38.47 12.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 84' ' ' VAL . 44.6 p -39.3 159.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -129.01 178.09 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -15.51 -85.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.78 126.28 30.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.483 ' HB ' ' CE2' ' A' ' 94' ' ' PHE . 34.0 t -127.37 132.96 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.431 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -99.26 104.04 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.615 ' CD1' HG22 ' A' ' 68' ' ' VAL . 98.0 m-85 -99.73 122.39 42.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.9 t -98.03 93.99 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.6 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.4 mm -79.61 151.09 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.95 102.57 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -103.74 148.19 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.565 HD22 HG21 ' A' ' 66' ' ' VAL . 46.6 mt -94.65 111.01 22.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.84 134.01 24.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.417 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.6 Cg_endo -74.93 134.69 18.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' PHE . 26.7 t -126.29 126.36 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -84.52 145.49 28.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.741 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.8 mt -151.1 135.0 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.48 121.64 43.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.445 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 38.9 mttt -56.19 147.43 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.595 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -120.32 174.79 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -39.39 -29.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' ASP . 15.5 t0 -118.05 53.61 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 55.26 -146.35 29.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 92' ' ' VAL . 3.7 mt -66.65 -57.66 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.9 41.5 2.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.788 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -137.73 161.6 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -113.93 155.63 25.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.774 HG21 ' CD1' ' A' ' 85' ' ' LEU . 3.0 pt -128.8 167.8 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.557 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -147.91 140.57 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.73 111.84 4.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.57 1.169 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.4 mmm -130.56 162.55 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.94 114.88 5.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.436 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -127.83 98.53 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.3 tp -54.05 129.98 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -112.02 123.13 6.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.421 HG13 ' HB2' ' A' ' 81' ' ' ALA . 16.2 mm -85.23 111.73 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.557 ' HB2' HG23 ' A' ' 27' ' ' ILE . 86.2 m-85 -110.99 164.67 12.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.855 HG23 ' OD1' ' A' ' 63' ' ' ASP . 22.0 t -89.4 104.67 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -57.08 -42.7 81.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.598 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.2 t -171.07 177.72 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.706 HG22 HG22 ' A' ' 24' ' ' ILE . 85.6 t -131.18 127.84 61.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -58.2 143.58 43.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.27 99.47 3.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.31 19.28 19.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.28 -174.67 47.86 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.69 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -71.88 -51.47 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.788 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -65.76 -27.26 68.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.79 -64.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -50.28 -44.21 53.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -46.06 -49.35 16.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 84.46 -4.73 83.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -82.66 -65.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.556 ' CD1' HD12 ' A' ' 15' ' ' LEU . 5.6 mt -68.6 129.9 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 9.4 mm-40 -116.47 177.5 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.9 t -83.02 146.21 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.2 m-80 77.73 11.49 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.855 ' OD1' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -73.4 175.93 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 31.3 tt0 -131.17 115.91 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.583 ' CG2' HD12 ' A' ' 73' ' ' LEU . 6.9 mt -85.39 89.96 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.565 HG21 HD22 ' A' ' 10' ' ' LEU . 47.6 t -68.09 -37.08 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 5.7 tt0 -147.41 159.18 43.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.666 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -143.95 117.86 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.65 20.16 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.409 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.26 -28.41 11.02 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 48.1 mt -66.12 140.24 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -93.0 123.22 36.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.805 HD21 HG11 ' A' ' 84' ' ' VAL . 69.7 mt -106.93 34.64 3.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.766 ' O ' HG13 ' A' ' 76' ' ' VAL . 87.2 t -106.28 141.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.5 44.71 59.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.766 HG13 ' O ' ' A' ' 74' ' ' VAL . 5.9 m -133.77 147.95 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.434 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 t -68.25 143.5 55.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.1 OUTLIER -38.31 -47.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -46.31 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.583 ' HE1' HD23 ' A' ' 73' ' ' LEU . 25.7 t80 -37.41 -53.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.21 -58.36 7.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.86 -52.01 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' ASN . 57.8 m -56.34 -51.66 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.805 HG11 HD21 ' A' ' 73' ' ' LEU . 54.8 t -51.87 -55.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.774 ' CD1' HG21 ' A' ' 26' ' ' ILE . 68.1 mt -60.6 -24.24 65.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 1.6 ttt180 -83.6 -27.86 28.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 83' ' ' THR . 1.9 m120 -74.75 -48.4 25.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 84' ' ' VAL . 76.0 p -36.48 151.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.608 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.2 OUTLIER -121.83 -172.77 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -18.03 -81.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -77.73 137.53 38.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.644 HG21 HD21 ' A' ' 22' ' ' LEU . 46.7 t -140.41 131.22 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.417 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -102.69 107.48 18.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.613 ' CD1' HG22 ' A' ' 68' ' ' VAL . 95.0 m-85 -101.27 123.68 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 95' ' ' VAL . 4.3 t -100.14 93.28 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.724 HG23 ' OD2' ' A' ' 63' ' ' ASP . 2.7 mm -80.41 152.08 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.548 ' HA2' HD23 ' A' ' 10' ' ' LEU . . . -117.04 105.85 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -99.5 146.54 26.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.2 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.9 110.45 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 9.3 p90 -126.48 131.71 24.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 120.56 6.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.6 t -111.72 122.85 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.11 145.48 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.78 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.6 mt -147.07 132.86 18.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -104.68 110.78 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 88' ' ' THR . 51.6 mttt -39.27 154.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.797 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 77.9 m-20 -128.72 175.9 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -41.16 -31.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.263 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.94 47.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 60.47 -141.95 47.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.515 HD21 HG21 ' A' ' 92' ' ' VAL . 4.1 mt -69.69 -57.05 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.36 53.51 1.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.643 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -142.72 153.59 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.364 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.445 ' HB2' HG22 ' A' ' 46' ' ' THR . 1.9 m -111.5 138.54 47.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.634 HG21 HD11 ' A' ' 85' ' ' LEU . 2.4 pt -111.36 -177.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -158.04 142.67 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.13 110.92 4.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.8 mmm -129.89 160.74 32.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.36 114.13 4.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -127.33 97.45 4.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 6.2 tp -56.73 129.88 43.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.45 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -110.42 119.51 5.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.509 HG13 ' HB2' ' A' ' 81' ' ' ALA . 17.2 mm -83.46 111.1 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.1 m-85 -111.25 164.24 13.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 61' ' ' VAL . 40.8 t -88.59 102.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -57.68 -40.98 80.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.736 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.7 t -170.66 170.67 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.584 HG22 HG22 ' A' ' 24' ' ' ILE . 86.3 t -126.53 120.29 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.4 m -49.9 134.97 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -71.7 104.54 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.44 26.33 12.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.07 170.88 32.14 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.797 ' HB2' ' CG ' ' A' ' 18' ' ' ASP . . . -57.85 -55.61 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.36 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.78 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -56.42 -43.31 79.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.3 -57.2 14.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -43.69 -41.48 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.51 -55.41 35.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.35 -20.21 50.51 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.501 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 3.9 mmm180 -64.58 -63.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 0.724 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -68.26 104.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.85 170.44 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.736 HG22 ' HA ' ' A' ' 46' ' ' THR . 60.3 t -70.14 148.96 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.1 m-80 77.11 0.9 3.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 13.2 m-20 -64.99 170.41 4.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 30.0 tt0 -129.57 112.77 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.676 ' CG2' HD12 ' A' ' 73' ' ' LEU . 6.2 mt -81.9 88.11 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.96 -39.37 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 8.7 tt0 -146.27 158.83 43.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.633 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -144.31 117.75 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 53.65 20.5 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.431 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.33 -27.29 14.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.602 HG21 ' CG2' ' A' ' 84' ' ' VAL . 64.6 mt -67.55 136.04 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.776 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.1 122.01 34.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.676 HD12 ' CG2' ' A' ' 65' ' ' ILE . 40.0 mt -105.11 38.01 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.731 ' O ' HG13 ' A' ' 76' ' ' VAL . 68.7 t -109.24 139.64 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 54.54 44.79 78.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.823 HG21 ' CD1' ' A' ' 80' ' ' PHE . 4.6 m -136.77 151.24 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.459 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 8.2 t -68.63 141.75 55.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -39.7 -39.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -58.39 6.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.823 ' CD1' HG21 ' A' ' 76' ' ' VAL . 47.0 t80 -44.96 -55.45 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.509 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.9 -47.25 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.02 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.6 m -62.24 -48.64 79.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.611 HG11 HD21 ' A' ' 73' ' ' LEU . 73.1 t -55.43 -56.56 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.634 HD11 HG21 ' A' ' 26' ' ' ILE . 59.0 mt -52.95 -25.47 12.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -86.24 -22.57 26.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' VAL . 1.9 m-80 -77.81 -40.93 38.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 84' ' ' VAL . 59.4 p -42.9 164.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.611 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -137.12 -169.69 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.17 -82.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -82.88 138.08 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.515 HG21 HD21 ' A' ' 22' ' ' LEU . 23.2 t -142.04 131.94 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 68' ' ' VAL . 23.7 mtm-85 -104.16 118.53 36.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.633 ' CD1' HG22 ' A' ' 68' ' ' VAL . 98.5 m-85 -110.13 117.45 33.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.4 t -95.24 90.83 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.8 mm -80.64 156.31 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.11 112.27 2.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -101.84 143.32 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 5.0 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.473 HD13 HG11 ' A' ' 66' ' ' VAL . 14.1 mt -96.66 110.16 22.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 3.0 p90 -125.23 133.2 24.63 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 121.77 6.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.509 HG11 HG13 ' A' ' 59' ' ' ILE . 43.3 t -111.38 124.99 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.36 138.58 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.772 HD11 ' HA ' ' A' ' 53' ' ' ALA . 2.8 mt -144.37 137.81 27.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 5.7 mt-10 -106.59 129.25 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 67.1 mttt -59.47 150.14 27.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.5 m-20 -126.0 176.53 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -38.76 -31.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 18' ' ' ASP . 24.4 t0 -117.18 52.93 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 55.12 -145.26 30.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.894 HD21 HG21 ' A' ' 92' ' ' VAL . 2.4 mt -65.24 -57.39 8.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.92 52.73 1.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.738 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -146.82 155.54 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.749 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.3 m -110.26 149.54 30.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.619 HG21 HD11 ' A' ' 85' ' ' LEU . 2.1 pt -127.81 156.75 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.652 HG23 ' HB2' ' A' ' 43' ' ' PHE . 1.1 tt -134.58 141.86 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' C ' ' HG2' ' A' ' 29' ' ' MET . . . -97.06 118.52 6.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.482 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.6 mmm -136.23 148.36 48.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 0.787 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.622 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -89.79 107.14 3.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.6 t . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -124.24 100.43 6.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.622 HD22 ' HA2' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -60.07 131.07 49.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -113.72 125.03 6.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.475 HG13 ' HB2' ' A' ' 81' ' ' ALA . 15.1 mm -89.77 106.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.652 ' HB2' HG23 ' A' ' 27' ' ' ILE . 89.9 m-85 -106.19 163.57 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 61' ' ' VAL . 16.8 t -87.72 106.4 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -59.59 -42.43 92.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.695 ' HA ' HG22 ' A' ' 61' ' ' VAL . 3.9 t -170.53 171.94 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.442 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.514 HG22 HG22 ' A' ' 24' ' ' ILE . 87.3 t -124.8 119.29 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -50.36 135.4 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.83 97.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.82 11.02 27.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.79 170.75 55.08 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -57.9 -57.16 14.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.772 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -56.86 -35.01 68.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.409 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.2 tm0? -66.22 -60.3 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -48.99 -39.75 27.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -55.19 -54.04 48.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 89.95 -4.02 83.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -79.6 -67.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.625 HD12 ' CD1' ' A' ' 15' ' ' LEU . 35.6 mt -68.29 123.29 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 2.8 mm-40 -110.32 175.04 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' A' ' 46' ' ' THR . 51.3 t -76.09 149.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.1 m-80 77.6 0.14 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 22.6 m-20 -62.28 170.73 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 16.0 tt0 -128.43 112.77 14.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.829 HG22 HD12 ' A' ' 73' ' ' LEU . 19.0 mt -82.66 86.09 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.473 HG11 HD13 ' A' ' 10' ' ' LEU . 60.8 t -64.31 -35.35 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 6.0 tt0 -147.83 156.74 43.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.58 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -143.1 114.45 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 69' ' ' ASP . 14.2 t0 56.22 26.79 10.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.411 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 100.85 -25.17 29.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.559 HG21 ' CG2' ' A' ' 84' ' ' VAL . 87.7 mt -68.72 140.66 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 0.784 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.4 t -94.54 135.05 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.829 HD12 HG22 ' A' ' 65' ' ' ILE . 57.0 mt -117.85 33.65 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 76' ' ' VAL . 95.2 t -107.09 133.8 50.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.16 35.44 91.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 74' ' ' VAL . 11.5 m -130.32 144.14 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' PHE . 6.6 t -68.43 140.57 55.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' THR . 1.3 tt0 -38.64 -42.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -45.93 -46.9 16.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.596 ' HE1' HD23 ' A' ' 73' ' ' LEU . 37.3 t80 -58.43 -56.66 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -52.74 -46.78 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.19 -44.56 68.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -65.19 -50.01 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.559 ' CG2' HG21 ' A' ' 71' ' ' ILE . 32.5 t -55.01 -58.07 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 26' ' ' ILE . 78.1 mt -51.85 -27.33 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -83.72 -24.18 31.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' VAL . 22.0 m-20 -76.55 -42.38 43.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.617 ' HB ' HG22 ' A' ' 92' ' ' VAL . 70.9 p -40.66 161.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.608 ' O ' ' C ' ' A' ' 90' ' ' GLY . 3.0 mmpt? -134.27 -169.39 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.36 -83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -79.38 138.71 37.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.894 HG21 HD21 ' A' ' 22' ' ' LEU . 60.1 t -141.29 121.53 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.31 113.15 25.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 98.1 m-85 -106.46 117.16 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.3 t -95.17 92.36 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' A' ' 94' ' ' PHE . 2.9 mm -80.94 154.51 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.33 102.89 0.94 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -110.26 136.52 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 2.1 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.229 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.604 HD13 ' HA2' ' A' ' 97' ' ' GLY . 2.0 mm? -94.38 110.82 22.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.5 p90 -132.43 134.06 24.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.03 16.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.804 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' PHE . 21.4 t -123.52 126.14 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.39 138.51 31.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -141.89 138.25 31.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 1.8 mt-10 -108.12 111.44 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 47.7 mttt -42.03 153.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.784 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -123.39 176.59 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.51 -29.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -116.77 47.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 61.85 -148.11 47.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.723 HD21 HG21 ' A' ' 92' ' ' VAL . 7.5 mt -66.84 -57.55 6.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.1 47.97 2.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.585 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 4.3 pt -138.2 155.21 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -112.9 147.25 37.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.592 HG21 HD11 ' A' ' 85' ' ' LEU . 2.5 pt -121.33 172.42 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -150.3 142.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.7 111.23 4.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.8 mmm -133.23 160.08 38.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.25 113.33 3.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.3 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -127.6 97.15 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 29' ' ' MET . 4.1 tp -55.0 113.67 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -91.95 117.05 5.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 73' ' ' LEU . 21.1 mm -82.82 97.12 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.468 ' HB2' HG23 ' A' ' 27' ' ' ILE . 90.8 m-85 -95.55 164.19 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.8 t -90.87 114.74 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -65.38 -43.06 91.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.719 ' HA ' HG22 ' A' ' 61' ' ' VAL . 6.4 t -170.55 179.36 3.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.3 t -130.49 129.89 64.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 m -57.9 137.04 57.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -74.29 107.01 6.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.18 29.58 12.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.46 -154.85 31.4 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.784 ' HB2' ' CG ' ' A' ' 18' ' ' ASP . . . -90.97 -44.34 9.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.585 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -71.19 -37.75 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -64.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -45.37 -45.58 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -49.32 -56.68 8.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 93.43 0.89 66.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.59 -68.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.339 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.7 mt -68.08 126.61 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 6.4 mm-40 -113.38 175.35 5.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' A' ' 46' ' ' THR . 61.7 t -78.07 149.0 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.5 m-80 77.68 -0.41 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.523 ' OD2' HG21 ' A' ' 96' ' ' ILE . 9.7 m-20 -63.3 166.4 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 11.6 tt0 -125.69 122.01 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.792 HG21 HD12 ' A' ' 73' ' ' LEU . 5.8 mt -87.88 91.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.603 HG21 ' CD1' ' A' ' 10' ' ' LEU . 81.0 t -68.89 -37.01 76.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.8 tt0 -151.02 149.42 29.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.68 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -134.02 109.57 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ARG . 1.7 m-20 62.63 12.46 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.74 -12.49 25.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 55.7 mt -86.23 127.25 40.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.753 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.82 118.7 17.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.792 HD12 HG21 ' A' ' 65' ' ' ILE . 17.3 mt -102.99 17.62 23.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -112.84 142.12 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.437 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 70.04 24.9 76.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.891 HG21 ' CD1' ' A' ' 80' ' ' PHE . 3.0 m -126.25 154.12 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 0.729 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 80' ' ' PHE . 10.1 t -67.95 140.25 56.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 77' ' ' THR . 1.3 tm0? -36.71 -45.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.52 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.891 ' CD1' HG21 ' A' ' 76' ' ' VAL . 15.5 t80 -38.55 -53.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.514 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -54.75 -58.53 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.45 -52.37 4.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' ASN . 86.9 m -50.83 -54.23 25.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.68 HG12 HG11 ' A' ' 68' ' ' VAL . 95.7 t -50.68 -60.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.592 HD11 HG21 ' A' ' 26' ' ' ILE . 45.9 mt -55.17 -24.02 24.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 0.4 OUTLIER -85.74 -25.1 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' THR . 1.4 m120 -82.83 -41.05 19.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 84' ' ' VAL . 25.5 p -38.93 159.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.619 ' O ' ' C ' ' A' ' 90' ' ' GLY . 26.1 mtmt -131.34 -174.14 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.38 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -76.95 138.11 39.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.723 HG21 HD21 ' A' ' 22' ' ' LEU . 48.9 t -142.29 123.47 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -95.57 115.16 27.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.592 ' CD1' HG22 ' A' ' 68' ' ' VAL . 99.3 m-85 -109.77 123.23 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 95' ' ' VAL . 3.6 t -99.09 92.69 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.596 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.6 mm -79.55 151.73 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.604 ' HA2' HD13 ' A' ' 10' ' ' LEU . . . -116.97 104.7 1.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -97.86 142.99 28.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 6.8 pt-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.26 110.23 22.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 7.1 p90 -124.36 134.53 25.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 122.23 7.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.426 HG11 HG13 ' A' ' 59' ' ' ILE . 55.1 t -111.52 123.48 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.55 ' CG ' ' NE ' ' A' ' 93' ' ' ARG . 3.4 mt-10 -85.2 135.18 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.642 HD22 ' HB1' ' A' ' 52' ' ' ALA . 2.9 mt -134.74 144.79 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.5 mt-10 -111.83 105.37 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 41.3 mttt -38.46 156.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' GLY . 24.8 m-20 -123.18 177.54 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -47.5 -23.6 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.71 -24.69 14.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.68 -135.63 9.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.63 HD22 ' HZ ' ' A' ' 94' ' ' PHE . 53.6 mt -57.63 -55.53 33.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 0.794 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' ' 24' ' ' ILE . . . 81.77 50.82 4.79 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.716 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 3.4 pt -153.07 156.86 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -110.09 143.48 40.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.029 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.845 HG21 HD11 ' A' ' 85' ' ' LEU . 1.5 pt -121.66 160.6 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.608 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -138.6 141.75 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.64 114.57 5.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.713 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.3 mmm -133.26 154.86 50.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.603 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -95.27 104.92 3.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -124.84 97.23 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.713 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -51.18 131.55 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.442 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.33 130.17 9.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.513 HG13 ' HB2' ' A' ' 81' ' ' ALA . 12.3 mm -94.86 102.55 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.608 ' HB2' HG23 ' A' ' 27' ' ' ILE . 83.4 m-85 -102.62 164.2 11.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 61' ' ' VAL . 25.2 t -88.78 102.72 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -57.48 -39.4 76.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.61 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.2 t -170.66 179.49 3.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.415 ' N ' ' OG1' ' A' ' 46' ' ' THR . 91.9 t -130.33 125.6 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -59.86 133.01 55.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.86 113.73 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' NH1' ' A' ' 55' ' ' ARG . . . 88.36 29.35 19.75 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.13 -164.42 32.33 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.642 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -79.75 -57.47 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.716 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -59.27 -34.38 72.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.8 -58.64 5.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 50' ' ' GLY . 69.7 mtm-85 -49.15 -49.82 40.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -54.88 -53.41 55.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.06 -30.08 7.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.519 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -46.0 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.426 HG13 HG11 ' A' ' 13' ' ' VAL . 14.6 mt -67.87 129.78 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -122.64 164.25 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.61 HG22 ' HA ' ' A' ' 46' ' ' THR . 96.8 t -66.28 151.27 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 13.9 m-80 78.62 -1.46 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.466 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 18.1 m-20 -64.36 170.86 3.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 35.9 tt0 -128.65 115.69 18.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.705 HG22 HD12 ' A' ' 73' ' ' LEU . 27.2 mt -84.47 91.92 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.55 -38.13 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 6.6 tt0 -144.91 160.15 41.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 84' ' ' VAL . 1.1 t -144.66 117.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.02 20.18 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.59 -28.11 11.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 56.2 mt -66.02 136.3 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -87.02 129.25 34.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.97 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.705 HD12 HG22 ' A' ' 65' ' ' ILE . 55.9 mt -113.62 42.04 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.914 ' O ' HG13 ' A' ' 76' ' ' VAL . 61.9 t -111.79 144.03 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.65 44.46 23.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.914 HG13 ' O ' ' A' ' 74' ' ' VAL . 9.8 m -133.08 143.37 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 78' ' ' GLN . 9.8 t -67.81 140.28 56.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' THR . 3.4 tt0 -37.45 -47.37 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -52.98 4.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -52.25 -60.09 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.513 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -51.85 -48.18 64.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.35 62.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.235 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.5 m -62.18 -46.62 88.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.7 HG12 HG11 ' A' ' 68' ' ' VAL . 69.5 t -57.77 -55.76 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.845 HD11 HG21 ' A' ' 26' ' ' ILE . 48.5 mt -53.62 -23.02 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -87.77 -25.26 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 88' ' ' THR . 13.9 m-20 -80.25 -37.94 31.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.482 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 15.3 p -38.14 157.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.2 OUTLIER -127.23 -166.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.523 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -27.57 -80.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -83.62 140.63 32.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.622 HG21 HD21 ' A' ' 22' ' ' LEU . 40.2 t -141.47 128.82 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.55 ' NE ' ' CG ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -99.94 104.33 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.63 ' HZ ' HD22 ' A' ' 22' ' ' LEU . 95.5 m-85 -97.69 117.7 32.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.1 t -93.87 93.83 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.492 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.4 mm -80.12 155.88 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.02 111.74 1.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -121.45 152.16 39.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 110.347 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -70.75 164.28 25.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 0.802 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -61.66 148.48 42.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.73 131.59 1.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -163.06 90.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -120.41 100.3 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.91 75.02 0.43 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -117.86 146.99 43.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.4 tt0 -79.55 95.48 5.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.479 HD23 ' HA2' ' A' ' 97' ' ' GLY . 42.1 mt -93.78 110.91 22.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.2 p90 -131.0 135.84 27.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.1 Cg_endo -75.07 134.93 18.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG11 HG13 ' A' ' 59' ' ' ILE . 49.5 t -127.19 119.57 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.22 135.76 35.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.553 ' CD1' HD12 ' A' ' 59' ' ' ILE . 1.8 mt -136.75 133.99 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -101.43 117.57 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 63.7 mttt -53.32 152.08 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.734 ' OD2' ' HB2' ' A' ' 52' ' ' ALA . 5.7 m-20 -129.51 177.12 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 20' ' ' ASP . 0.9 OUTLIER -38.95 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.7 t70 -120.8 51.08 1.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 54.33 -136.07 43.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -77.31 -53.52 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.66 48.49 2.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.749 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -137.77 155.28 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.31 149.17 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.034 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.697 HG21 HD11 ' A' ' 85' ' ' LEU . 2.5 pt -124.75 161.61 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.592 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -135.97 141.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.9 115.22 4.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.82 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.2 mmt -129.85 153.64 48.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.611 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -100.92 103.97 2.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.459 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -86.32 139.99 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.63 75.35 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.47 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -87.38 114.64 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.607 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 26.7 m-20 -116.93 61.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 34' ' ' ASP . . . 78.11 -79.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -128.12 0.96 6.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.11 28.03 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 16.7 pt-20 -73.86 150.19 41.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -121.94 97.04 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -54.0 130.48 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -112.7 119.3 4.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.721 HG13 ' HB2' ' A' ' 81' ' ' ALA . 27.3 mm -84.56 106.97 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.592 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.7 m-85 -107.71 163.08 13.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 61' ' ' VAL . 19.8 t -88.01 108.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -61.3 -44.82 96.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.698 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.1 t -169.04 177.48 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.725 HG22 HG22 ' A' ' 24' ' ' ILE . 98.6 t -130.26 128.47 64.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -56.95 132.32 52.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.68 95.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.89 29.48 5.81 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.2 -179.17 41.37 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.734 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . . . -67.35 -42.98 82.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.749 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -72.46 -33.44 67.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.78 -64.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -42.27 -45.96 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -52.75 -56.69 13.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.99 -31.2 8.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.509 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.45 -69.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.791 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.553 HD12 ' CD1' ' A' ' 15' ' ' LEU . 90.2 mt -66.37 127.43 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.34 174.45 6.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.698 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.1 t -74.45 150.27 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.3 m-80 76.66 0.94 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 9.2 m-20 -62.79 164.21 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 30.0 tt0 -124.77 110.8 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.595 ' CG2' HG23 ' A' ' 68' ' ' VAL . 8.0 mt -82.13 86.96 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.456 HG21 HD22 ' A' ' 10' ' ' LEU . 51.3 t -63.74 -39.85 86.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.5 tt0 -143.0 158.74 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.647 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -144.15 118.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.537 ' OD2' HG13 ' A' ' 92' ' ' VAL . 2.8 m-20 52.46 21.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.413 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.51 -26.62 17.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.583 HG21 ' CG2' ' A' ' 84' ' ' VAL . 41.6 mt -67.18 136.11 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.73 128.62 36.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.996 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.526 HD23 ' HE1' ' A' ' 80' ' ' PHE . 34.1 mt -112.86 36.95 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.693 ' O ' HG13 ' A' ' 76' ' ' VAL . 91.4 t -106.25 138.59 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 55.15 39.78 71.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.693 HG13 ' O ' ' A' ' 74' ' ' VAL . 12.4 m -130.52 143.5 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.469 HG23 ' HB2' ' A' ' 79' ' ' ASN . 6.0 t -67.68 144.2 55.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 77' ' ' THR . 22.5 tt0 -37.7 -49.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.469 ' HB2' HG23 ' A' ' 77' ' ' THR . 95.3 m-20 -40.49 -57.67 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.618 ' CD1' HG21 ' A' ' 76' ' ' VAL . 50.4 t80 -49.88 -57.33 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.721 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.57 -45.58 73.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.93 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.5 m -61.74 -46.79 88.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.593 HG12 HG11 ' A' ' 68' ' ' VAL . 34.2 t -58.04 -58.24 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.697 HD11 HG21 ' A' ' 26' ' ' ILE . 51.4 mt -52.13 -22.17 3.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -22.72 22.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' VAL . 4.5 m-80 -84.04 -32.45 24.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.575 ' HB ' HG21 ' A' ' 92' ' ' VAL . 12.2 p -38.73 158.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.559 ' O ' ' C ' ' A' ' 90' ' ' GLY . 33.1 mtmt -128.75 -173.61 3.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -22.5 -84.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.19 134.69 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.575 HG21 ' HB ' ' A' ' 88' ' ' THR . 17.8 t -132.05 138.36 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.14 106.01 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.647 ' CD1' HG22 ' A' ' 68' ' ' VAL . 97.7 m-85 -100.35 121.93 42.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.4 t -99.81 93.88 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.591 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.4 mm -79.82 156.48 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.614 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -122.73 105.86 0.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.798 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -101.58 149.04 24.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 119.49 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -79.03 157.27 76.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 179.75 5.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 t -164.39 80.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.22 156.76 8.98 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.62 12.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 95.5 p -125.08 146.64 49.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -84.87 147.4 26.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.052 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' SER . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -84.38 163.11 19.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 110.035 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 m -134.35 -59.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.5 166.39 23.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.59 147.89 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 109.941 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.79 171.86 11.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.75 -81.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.807 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -109.75 146.6 34.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.3 tt0 -79.52 95.5 5.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.532 HD23 ' HA2' ' A' ' 97' ' ' GLY . 51.8 mt -94.5 111.21 22.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.06 134.26 25.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.96 17.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' PHE . 37.4 t -125.97 122.14 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -86.34 137.39 32.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 53' ' ' ALA . 3.3 mt -139.85 135.92 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.9 mt-10 -105.9 105.92 16.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 89' ' ' LYS . 41.7 mttt -39.12 158.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.703 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -128.1 176.43 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' ASP . 8.6 t70 -119.57 51.21 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 57.93 -146.44 39.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.72 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -70.28 -56.37 6.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.54 43.93 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.825 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -136.45 154.69 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 0.764 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.3 m -111.55 146.85 36.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.683 HG21 HD11 ' A' ' 85' ' ' LEU . 2.6 pt -120.37 177.95 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.568 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -154.67 143.75 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.93 114.47 5.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.7 mmm -132.11 160.73 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.79 114.73 5.04 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.427 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.4 t -96.26 140.63 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.21 52.37 1.67 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -65.14 101.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 12.8 m-20 -87.81 47.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 34' ' ' ASP . . . 76.32 -77.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.2 -22.35 6.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.0 mt -96.85 59.74 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 13.0 pt-20 -98.76 154.48 17.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -127.5 96.89 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.8 tp -53.22 125.8 18.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -107.32 122.08 6.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.462 HG13 ' HB2' ' A' ' 81' ' ' ALA . 16.0 mm -83.64 115.09 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.568 ' HB2' HG23 ' A' ' 27' ' ' ILE . 91.9 m-85 -114.57 164.08 14.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.849 HG23 ' OD1' ' A' ' 63' ' ' ASP . 14.6 t -89.31 104.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -56.1 -46.29 79.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.603 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.2 t -170.25 171.78 6.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 110.348 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.813 HG22 HG22 ' A' ' 24' ' ' ILE . 76.5 t -123.29 121.89 63.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -51.26 142.71 12.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -69.94 103.01 2.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.79 14.97 47.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.93 177.17 31.85 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -68.96 -37.57 78.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.825 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -78.28 -24.23 46.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.52 -61.74 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NH2' ' OD2' ' A' ' 18' ' ' ASP . 25.2 mtm105 -52.79 -39.08 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -47.98 -54.4 13.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.458 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 89.15 -5.73 84.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.48 -67.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 15' ' ' LEU . 6.8 mt -67.93 129.01 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.462 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 10.4 mm-40 -115.51 177.82 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.603 HG22 ' HA ' ' A' ' 46' ' ' THR . 61.6 t -83.17 146.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.2 m-80 77.46 10.4 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.849 ' OD1' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -71.06 175.51 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.415 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 15.9 tt0 -131.11 113.34 13.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.521 ' CG2' HG23 ' A' ' 68' ' ' VAL . 9.4 mt -84.13 87.27 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.453 HG21 HD22 ' A' ' 10' ' ' LEU . 47.8 t -65.43 -39.57 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 9.4 tt0 -144.2 157.68 44.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.634 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.07 118.47 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 52.31 21.87 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.409 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.32 -27.56 15.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.582 HD12 HG13 ' A' ' 84' ' ' VAL . 70.3 mt -66.06 136.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.1 t -91.54 115.16 27.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.613 HD21 HG11 ' A' ' 84' ' ' VAL . 38.0 mt -98.63 35.88 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.899 ' O ' HG13 ' A' ' 76' ' ' VAL . 94.3 t -102.86 143.15 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.23 45.8 27.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 74' ' ' VAL . 5.8 m -132.31 148.37 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.804 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.466 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 t -68.72 142.5 54.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 77' ' ' THR . 23.3 tt0 -36.69 -48.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -44.4 -66.19 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.723 ' CD2' HG21 ' A' ' 76' ' ' VAL . 70.1 t80 -36.1 -57.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -55.9 -48.14 76.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' ASN . . . -52.38 -43.43 64.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 42.8 m -64.59 -52.01 59.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.613 HG11 HD21 ' A' ' 73' ' ' LEU . 91.5 t -51.75 -55.53 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.683 HD11 HG21 ' A' ' 26' ' ' ILE . 78.8 mt -53.56 -28.25 30.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -84.87 -21.69 29.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 88' ' ' THR . 5.8 m-80 -78.69 -48.15 15.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.617 ' HB ' HG22 ' A' ' 92' ' ' VAL . 15.9 p -39.83 160.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.625 ' O ' ' C ' ' A' ' 90' ' ' GLY . 13.7 mtmt -129.8 -174.9 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.625 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -15.09 -82.42 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -76.16 136.37 39.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.787 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 61.3 t -140.65 129.5 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 104.6 15.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.787 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 98.5 m-85 -101.14 121.21 41.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -99.34 92.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.686 HG23 ' OD2' ' A' ' 63' ' ' ASP . 2.9 mm -80.14 154.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.607 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -119.67 106.28 1.21 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.807 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -100.06 146.61 26.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.293 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.06 114.44 10.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -73.58 157.34 87.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.38 15.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.46 76.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 135.54 173.89 13.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -179.2 4.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.6 -58.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 t -57.21 125.78 24.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.133 . . . . 0.0 111.034 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 p -78.68 163.14 25.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.45 165.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.26 149.84 21.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.94 162.24 20.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -44.86 107.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.05 72.46 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.809 HD13 ' C ' ' A' ' 98' ' ' ARG . 1.6 mm? -110.89 152.2 26.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 7.4 pt-20 -100.79 111.62 23.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.9 OUTLIER -96.57 111.04 23.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 5.3 p90 -126.43 135.4 27.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.4 Cg_endo -75.01 131.85 14.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' PHE . 46.7 t -123.67 118.24 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.31 128.99 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 15' ' ' LEU . 1.8 mt -128.31 127.52 42.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -94.37 98.63 11.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 90' ' ' GLY . 2.5 mtpt -39.05 155.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.658 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -120.72 175.95 5.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -48.44 -22.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.71 -24.69 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 125.21 -135.45 9.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.804 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 13.9 mt -74.09 -53.18 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.07 53.15 3.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.749 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -149.69 163.55 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.6 m -116.35 148.55 40.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.598 HG21 HD11 ' A' ' 85' ' ' LEU . 1.3 pt -126.25 159.34 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -138.13 141.25 38.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.65 117.32 5.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.722 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.3 mmm -133.83 155.37 49.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.601 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -96.02 107.23 3.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.8 t -88.26 143.1 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.13 70.03 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.6 99.58 11.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -97.27 36.9 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 52.1 52.93 13.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.63 -45.36 0.6 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.7 mt -104.76 61.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.753 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -102.25 142.28 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HD2' HG12 ' A' ' 74' ' ' VAL . 1.6 mmtt -126.71 96.88 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -50.57 129.85 23.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.09 130.08 9.42 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.587 HG13 ' HB2' ' A' ' 81' ' ' ALA . 15.7 mm -93.26 96.86 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.474 ' HB2' HG23 ' A' ' 27' ' ' ILE . 89.7 m-85 -98.67 163.77 12.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.523 HG21 ' OD2' ' A' ' 63' ' ' ASP . 30.7 t -92.8 114.41 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -67.77 -39.51 84.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.711 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.6 t -170.45 173.02 5.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 24' ' ' ILE . 78.4 t -124.11 124.23 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -50.79 149.65 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -79.07 108.79 12.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.06 8.82 68.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.87 -172.72 6.65 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -73.43 -59.33 2.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.749 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -56.4 -28.27 58.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.34 -63.37 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -48.28 -41.09 27.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -56.71 -56.95 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.53 -29.02 10.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.51 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.4 -70.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.412 HG23 ' OD2' ' A' ' 63' ' ' ASP . 11.3 mt -67.35 133.4 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -129.64 149.06 51.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.711 HG22 ' HA ' ' A' ' 46' ' ' THR . 96.2 t -40.43 149.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 8.0 m-80 76.51 1.04 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.972 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -63.44 144.03 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 27.0 tt0 -110.4 108.67 18.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.637 ' CG2' HG23 ' A' ' 68' ' ' VAL . 22.9 mt -80.54 85.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.19 -38.62 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.3 tt0 -143.5 157.29 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.652 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.72 118.76 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 51.97 20.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.407 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.92 -27.84 12.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.546 HD12 HG13 ' A' ' 84' ' ' VAL . 63.7 mt -66.37 136.09 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -91.84 129.07 37.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.618 HD23 ' HE1' ' A' ' 80' ' ' PHE . 51.0 mt -112.91 39.9 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.659 ' O ' HG13 ' A' ' 76' ' ' VAL . 99.4 t -111.05 138.0 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.24 38.87 88.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 74' ' ' VAL . 10.5 m -132.83 146.98 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' GLN . 6.0 t -67.77 140.43 56.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' THR . 2.1 tt0 -37.5 -46.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -43.55 -54.71 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.63 ' CD1' HG21 ' A' ' 76' ' ' VAL . 49.1 t80 -50.14 -57.11 8.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.587 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.33 -49.38 69.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.17 56.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.3 m -62.66 -51.52 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.448 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 88' ' ' THR . 72.7 t -52.77 -55.04 13.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.598 HD11 HG21 ' A' ' 26' ' ' ILE . 53.6 mt -53.98 -25.54 21.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -87.59 -19.96 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -80.72 -38.55 28.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 84' ' ' VAL . 80.3 p -42.18 164.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.554 ' O ' ' C ' ' A' ' 90' ' ' GLY . 3.0 mtmp? -132.81 -168.32 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -23.58 -82.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.58 135.83 34.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 0.728 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 18.9 t -135.91 139.92 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 107.79 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CD1' HG22 ' A' ' 68' ' ' VAL . 97.8 m-85 -102.07 122.48 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.4 t -99.27 94.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.972 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.9 mm -79.52 153.22 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.479 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -124.57 105.1 0.84 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.809 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -115.31 156.8 24.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.462 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -70.42 133.33 46.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' HG2' ' HB3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -125.91 158.22 66.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 132.58 15.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.8 p -133.49 78.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.91 -146.04 17.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.29 6.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.2 t -135.41 160.05 39.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.73 144.57 26.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.74 158.88 26.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.798 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.58 159.79 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.29 88.81 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.11 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.87 173.68 11.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -56.91 -60.56 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 37.98 62.95 0.96 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.84 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -123.69 148.34 46.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -80.07 94.74 6.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -92.98 110.48 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 25.1 p90 -131.22 136.82 29.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.2 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 59' ' ' ILE . 42.4 t -116.0 118.11 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.87 139.41 34.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.632 ' CD1' HD12 ' A' ' 59' ' ' ILE . 6.5 mt -141.99 143.2 33.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.76 108.27 17.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 26.9 mttt -40.06 156.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.006 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -123.44 176.73 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -50.3 -20.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -106.2 -22.86 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 125.18 -139.76 11.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.654 HD21 HG21 ' A' ' 92' ' ' VAL . 23.8 mt -69.31 -54.93 12.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.96 47.04 5.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.591 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 10.2 pt -138.54 152.28 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 0.8 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.15 143.6 42.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.505 HG21 HD11 ' A' ' 85' ' ' LEU . 1.7 pt -120.31 175.73 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.526 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -153.13 137.63 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.78 112.19 4.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.449 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.9 mmm -133.29 160.83 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -106.1 111.69 3.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.6 t -92.99 141.07 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.23 72.88 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.93 106.13 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.734 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -99.08 37.25 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 50.59 56.86 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 149.79 -48.49 0.59 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.13 61.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -101.69 143.75 31.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.74 97.01 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 76' ' ' VAL . 6.1 tp -51.29 124.13 11.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -105.63 118.85 5.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 81' ' ' ALA . 20.5 mm -83.54 101.74 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.526 ' HB2' HG23 ' A' ' 27' ' ' ILE . 91.1 m-85 -100.22 162.22 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' ASP . 13.0 t -90.71 102.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -54.34 -44.23 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.72 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.2 t -170.83 177.84 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 110.401 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.419 ' N ' ' OG1' ' A' ' 46' ' ' THR . 74.8 t -125.91 129.5 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -58.0 134.01 56.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -70.75 106.07 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.55 29.07 10.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.72 -170.08 35.59 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 1.006 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -72.3 -52.92 14.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.591 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -61.76 -40.0 93.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -61.6 -68.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -43.22 -47.67 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -49.52 -56.59 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 91.35 8.93 63.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' HG3' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -91.07 -67.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 0.788 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 94' ' ' PHE . 13.7 mt -68.79 118.81 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 22.2 mm-40 -104.84 174.83 5.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.72 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.1 t -76.81 150.94 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 7.9 m-80 75.75 1.46 3.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 96' ' ' ILE . 19.3 m-20 -65.0 152.41 43.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -112.94 111.22 21.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.536 ' CG2' HD12 ' A' ' 73' ' ' LEU . 23.9 mt -78.66 91.3 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.6 t -68.6 -38.67 79.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 10.4 tt0 -145.77 156.82 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.627 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -141.95 116.75 5.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 53.35 20.39 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.413 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.75 -29.23 9.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.599 HD12 HG13 ' A' ' 84' ' ' VAL . 61.3 mt -66.13 137.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.08 125.05 36.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.662 HD23 ' HE1' ' A' ' 80' ' ' PHE . 66.7 mt -108.55 39.96 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.843 ' O ' HG13 ' A' ' 76' ' ' VAL . 90.7 t -110.41 142.04 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.36 46.16 44.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.843 HG13 ' O ' ' A' ' 74' ' ' VAL . 4.4 m -135.17 151.54 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 80' ' ' PHE . 7.0 t -68.59 140.46 55.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -39.12 -41.12 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.26 -58.43 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.729 ' CD1' HG21 ' A' ' 76' ' ' VAL . 51.9 t80 -42.76 -56.64 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.52 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -54.09 -48.8 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.18 -44.08 64.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.3 m -63.02 -52.96 60.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 88' ' ' THR . 72.3 t -52.66 -54.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.505 HD11 HG21 ' A' ' 26' ' ' ILE . 38.2 mt -55.48 -23.65 27.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 mtp85 -89.92 -20.21 23.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' THR . 1.1 m120 -79.16 -41.33 28.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 84' ' ' VAL . 68.7 p -44.12 168.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.424 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.633 ' O ' ' C ' ' A' ' 90' ' ' GLY . 15.5 mtmt -138.66 -171.14 3.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.633 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -14.5 -84.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.27 139.41 35.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.654 HG21 HD21 ' A' ' 22' ' ' LEU . 44.3 t -141.55 128.16 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -99.88 109.69 22.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.649 ' HB2' HD11 ' A' ' 59' ' ' ILE . 98.5 m-85 -104.08 120.37 40.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 95' ' ' VAL . 3.2 t -96.51 95.5 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.8 mm -82.59 157.63 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.555 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -119.56 103.87 1.0 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.783 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -95.46 153.88 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.07 114.15 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -72.3 157.93 88.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.25 8.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.7 t -164.37 77.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.63 162.25 9.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 169.41 22.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.8 147.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 71.1 m -66.35 140.85 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.59 162.67 13.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.978 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 51.96 99.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.2 -100.95 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -66.43 163.73 17.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.2 153.1 31.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.046 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.48 68.71 0.77 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.852 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -121.07 162.47 19.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.4 tt0 -96.06 96.16 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.603 HD22 ' N ' ' A' ' 10' ' ' LEU . 1.2 mm? -92.9 111.53 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.2 p90 -133.2 134.71 24.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.2 Cg_endo -74.97 135.93 19.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG11 HG13 ' A' ' 59' ' ' ILE . 46.6 t -128.28 119.98 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.54 133.61 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.532 ' CD1' HD12 ' A' ' 59' ' ' ILE . 1.7 mt -134.29 134.86 42.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.48 122.77 44.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 57.3 mttt -60.99 150.96 31.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.872 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -125.34 175.44 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.29 -28.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.0 t70 -118.04 51.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 56.01 -142.94 37.81 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 92' ' ' VAL . 1.9 mt -71.14 -57.09 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.6 50.36 1.69 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.765 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -142.98 157.96 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 m -110.13 153.97 23.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.491 HG21 HD11 ' A' ' 85' ' ' LEU . 2.1 pt -132.67 155.93 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.583 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -133.77 141.19 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.83 117.38 5.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.74 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.1 mmm -133.71 155.26 50.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.59 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -97.26 104.0 2.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.42 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -84.06 139.86 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.22 71.17 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.57 100.38 12.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.69 23.92 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 63.16 46.84 4.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.5 -36.23 0.59 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.2 24.36 11.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.777 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.81 133.88 43.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -126.91 96.9 4.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -47.66 131.57 14.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.42 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -115.35 121.26 5.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.404 HG13 ' HB2' ' A' ' 81' ' ' ALA . 13.4 mm -85.91 104.46 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.797 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.583 ' HB2' HG23 ' A' ' 27' ' ' ILE . 90.0 m-85 -104.77 163.84 12.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.7 t -88.09 110.04 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -63.51 -41.58 98.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.607 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.5 t -170.14 177.83 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 24' ' ' ILE . 79.9 t -131.63 122.57 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -54.28 133.83 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.36 95.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.55 16.09 12.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.25 173.66 54.38 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.872 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -62.82 -45.66 91.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.765 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -66.48 -34.09 77.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.48 -59.76 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -46.76 -48.74 20.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -53.17 -51.81 60.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.59 -32.39 5.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -48.13 -67.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.55 HG13 HG11 ' A' ' 13' ' ' VAL . 70.2 mt -67.29 130.25 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -123.5 168.04 13.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.607 HG22 ' HA ' ' A' ' 46' ' ' THR . 82.8 t -69.97 152.35 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.6 m-80 77.34 -0.6 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 26.5 m-20 -65.18 169.3 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 37.2 tt0 -129.3 112.29 13.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.515 ' CG2' HD12 ' A' ' 73' ' ' LEU . 8.5 mt -80.93 89.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.519 HG21 HD12 ' A' ' 10' ' ' LEU . 57.0 t -66.67 -38.68 82.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.4 tt0 -145.66 158.59 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.83 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -143.3 118.66 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 52.05 21.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.407 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.71 -27.89 12.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.557 HG21 ' CG2' ' A' ' 84' ' ' VAL . 62.6 mt -65.7 136.71 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 t -92.12 121.33 33.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.66 HD23 ' HE2' ' A' ' 80' ' ' PHE . 78.7 mt -104.7 37.47 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 76' ' ' VAL . 94.0 t -107.3 140.04 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 54.2 42.42 72.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 74' ' ' VAL . 10.2 m -135.73 144.21 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 78' ' ' GLN . 6.0 t -67.92 142.83 55.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.392 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -36.82 -48.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -41.48 -62.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.725 ' CD2' HG21 ' A' ' 76' ' ' VAL . 51.4 t80 -43.49 -52.75 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -55.06 -55.91 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -41.71 -49.84 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 87' ' ' ASN . 52.9 m -55.79 -52.78 62.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.83 HG12 HG11 ' A' ' 68' ' ' VAL . 90.4 t -52.09 -53.76 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 26' ' ' ILE . 24.4 mt -61.62 -20.66 63.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 3.9 ttt180 -87.99 -26.73 22.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.9 m120 -81.16 -38.2 27.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.471 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 2.2 p -37.18 155.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.599 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.4 mptt -126.37 -175.48 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.12 -80.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -82.36 141.31 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 0.806 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.572 HG21 HD21 ' A' ' 22' ' ' LEU . 44.5 t -141.63 131.13 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.46 105.42 16.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.624 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 95.6 m-85 -99.91 122.24 42.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.7 t -100.04 93.37 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.598 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.6 mm -79.91 157.77 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.597 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -123.5 103.96 0.82 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.852 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -101.88 154.36 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.2 125.72 27.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -81.19 157.92 70.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 124.16 8.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.8 m -150.86 88.71 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.95 -120.26 2.9 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 176.16 10.28 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.8 p -150.6 -58.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.95 104.35 16.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.933 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 p -98.76 145.19 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.029 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -74.48 151.16 39.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.47 -143.34 4.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.03 -64.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -72.18 136.98 46.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.947 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.69 76.97 0.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.781 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -126.87 148.2 50.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.1 tt0 -81.46 94.74 6.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -93.5 110.76 22.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.3 p90 -131.58 133.7 24.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.86 15.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' PHE . 24.1 t -122.19 117.6 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -81.74 119.79 24.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.572 ' CD1' HD12 ' A' ' 59' ' ' ILE . 4.0 mt -119.97 137.93 53.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -105.37 108.48 20.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 31.5 mttt -38.85 156.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.812 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 14.4 m-20 -124.07 176.22 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -48.47 -22.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.8 -24.01 13.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.93 -131.77 8.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.7 HD22 ' HZ ' ' A' ' 94' ' ' PHE . 17.0 mt -69.05 -53.68 19.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.07 48.44 6.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.434 1.084 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.605 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 5.7 pt -145.35 157.99 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.41 150.94 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.618 HG21 HD11 ' A' ' 85' ' ' LEU . 1.8 pt -128.54 167.92 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -145.55 142.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.56 113.88 4.74 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.2 mmm -132.51 161.95 32.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.82 108.62 2.78 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.557 1.161 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.469 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.2 t -90.87 139.72 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.92 75.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.59 103.98 13.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.314 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.34 40.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 47.53 56.36 7.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.88 -52.45 0.42 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.7 mt -102.06 61.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -98.16 139.98 33.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -127.62 97.01 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.4 tp -52.11 122.94 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -105.12 118.92 6.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.473 HG13 ' HB2' ' A' ' 81' ' ' ALA . 17.5 mm -83.01 109.45 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.484 ' HB2' HG23 ' A' ' 27' ' ' ILE . 94.3 m-85 -108.33 163.53 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 61' ' ' VAL . 12.5 t -88.49 109.19 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -62.09 -41.95 98.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.713 ' HA ' HG22 ' A' ' 61' ' ' VAL . 3.2 t -169.99 178.6 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.438 ' N ' ' OG1' ' A' ' 46' ' ' THR . 95.9 t -128.39 127.31 67.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -57.3 134.95 56.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.427 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -74.69 99.85 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.06 41.47 2.61 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.2 -164.4 20.26 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.812 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -81.35 -51.44 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.234 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.605 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -61.63 -42.9 99.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -61.17 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtm-85 -45.35 -50.81 11.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.37 -51.48 54.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.37 9.07 70.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.457 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -85.65 -66.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.572 HD12 ' CD1' ' A' ' 15' ' ' LEU . 22.1 mt -68.49 119.81 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 6.4 mm-40 -106.7 174.95 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.5 t -78.87 148.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.5 m-80 77.03 0.83 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.437 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 18.5 m-20 -63.88 172.24 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 34.0 tt0 -129.41 116.35 18.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.677 ' CG2' HD12 ' A' ' 73' ' ' LEU . 44.6 mt -84.02 91.43 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.88 -45.21 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 2.5 tt0 -141.06 158.84 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.648 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.66 119.11 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.493 ' OD2' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER 53.81 19.7 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.412 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.11 -26.77 14.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.51 ' CD1' HG13 ' A' ' 84' ' ' VAL . 81.2 mt -66.71 147.45 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t -100.24 124.63 45.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.715 HD23 ' HE2' ' A' ' 80' ' ' PHE . 81.9 mt -107.16 36.68 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 76' ' ' VAL . 95.1 t -107.97 140.6 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.1 42.84 62.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 74' ' ' VAL . 12.8 m -132.43 148.41 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 4.8 t -68.72 142.89 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' THR . 7.9 tt0 -38.74 -45.98 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.504 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 88.4 m-20 -44.23 -62.01 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.715 ' HE2' HD23 ' A' ' 73' ' ' LEU . 78.7 t80 -42.22 -58.49 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.498 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -50.53 -41.64 54.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 79' ' ' ASN . . . -61.59 -39.86 92.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -68.29 -52.42 33.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.589 HG12 HG11 ' A' ' 68' ' ' VAL . 81.9 t -52.65 -54.85 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.618 HD11 HG21 ' A' ' 26' ' ' ILE . 70.3 mt -54.96 -26.88 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -85.45 -21.57 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -77.13 -41.83 40.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 84' ' ' VAL . 70.7 p -42.35 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.62 ' O ' ' C ' ' A' ' 90' ' ' GLY . 52.2 mmtt -137.67 -168.22 2.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.14 -85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.03 140.22 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.55 HG21 HD21 ' A' ' 22' ' ' LEU . 21.3 t -138.35 136.47 44.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.94 109.43 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.7 ' HZ ' HD22 ' A' ' 22' ' ' LEU . 99.4 m-85 -104.42 122.91 46.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 95' ' ' VAL . 5.5 t -100.78 93.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.595 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 mm -80.06 155.19 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.648 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -119.49 107.69 1.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.781 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -101.23 146.27 27.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 110.314 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.74 119.4 14.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -78.9 157.92 75.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.17 39.25 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.3 p 178.88 69.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.9 -178.14 48.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -58.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.3 m -158.62 162.82 37.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -113.41 140.66 47.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -117.73 147.26 43.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.82 167.6 29.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.25 179.48 20.75 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.07 155.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 p -155.11 178.46 10.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.59 -84.04 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.843 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -97.21 163.13 13.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.5 tt0 -101.46 99.43 9.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.475 HD12 HG21 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -93.87 111.01 22.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.087 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 14.2 p90 -131.26 131.97 23.38 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -75.03 125.21 9.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.569 1.826 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' PHE . 24.8 t -116.86 120.16 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.29 139.49 35.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.651 HD11 ' HA ' ' A' ' 53' ' ' ALA . 7.0 mt -141.4 138.25 32.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -104.19 110.46 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 27.1 mttt -40.39 155.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.883 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -122.33 176.44 5.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -49.65 -21.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -103.95 -23.02 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.3 -137.76 11.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.855 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 45.5 mt -62.48 -51.5 67.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 0.806 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 24' ' ' ILE . . . 80.71 55.18 3.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.79 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.2 pt -155.06 160.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 m -116.09 144.58 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.648 HG21 HD11 ' A' ' 85' ' ' LEU . 1.5 pt -123.01 163.16 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.669 HG23 ' HB2' ' A' ' 43' ' ' PHE . 4.9 tt -141.3 143.89 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.86 112.81 4.54 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.448 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -132.4 140.38 48.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.974 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.666 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -84.86 111.23 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.5 t -92.95 140.66 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.09 78.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.7 101.73 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -98.84 29.72 3.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.31 53.93 5.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.428 ' C ' HD12 ' A' ' 37' ' ' LEU . . . 148.79 -32.98 1.18 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.0 mp -110.82 46.15 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -92.53 135.84 33.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -126.83 97.04 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.666 HD22 ' HA2' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -48.65 131.69 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.407 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.14 120.26 5.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.535 HG13 ' HB2' ' A' ' 81' ' ' ALA . 18.4 mm -84.07 104.7 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.669 ' HB2' HG23 ' A' ' 27' ' ' ILE . 94.0 m-85 -103.27 163.29 12.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 61' ' ' VAL . 28.5 t -91.2 106.1 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -61.6 -41.38 97.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.773 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.6 t -170.57 170.24 6.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.553 HG22 HG22 ' A' ' 24' ' ' ILE . 73.8 t -122.47 121.3 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.48 142.06 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.77 115.57 14.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.08 29.24 51.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.25 -155.5 31.21 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.883 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -86.31 -61.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.79 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -59.85 -25.11 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.41 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.3 tm0? -69.63 -60.86 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -49.07 -50.64 35.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.452 ' HB2' HD21 ' A' ' 15' ' ' LEU . 25.8 t0 -49.88 -56.52 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.33 -22.39 41.05 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.508 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 4.5 mmm180 -59.74 -65.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.648 HD12 ' CD1' ' A' ' 15' ' ' LEU . 33.5 mt -68.44 101.29 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.458 ' N ' ' OD2' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -98.41 171.94 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.773 HG22 ' HA ' ' A' ' 46' ' ' THR . 54.5 t -69.36 148.9 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.3 m-80 76.75 0.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 60' ' ' GLN . 12.0 m-20 -65.82 148.95 50.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 45.3 tt0 -110.76 113.26 25.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.545 ' CG2' HD12 ' A' ' 73' ' ' LEU . 9.2 mt -80.87 92.38 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.475 HG21 HD12 ' A' ' 10' ' ' LEU . 43.8 t -68.91 -38.69 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 5.7 tt0 -145.89 158.77 43.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.607 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.58 117.79 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.69 21.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.428 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.96 -27.97 12.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.465 HD12 HG13 ' A' ' 84' ' ' VAL . 70.9 mt -65.94 137.73 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.1 t -91.47 126.26 36.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.657 HD23 ' HE2' ' A' ' 80' ' ' PHE . 79.9 mt -110.93 39.36 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 76' ' ' VAL . 76.6 t -111.94 134.87 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.34 37.66 94.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.713 HG21 ' CD2' ' A' ' 80' ' ' PHE . 10.6 m -130.62 145.4 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' GLN . 8.0 t -68.14 141.15 56.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.401 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -35.95 -48.25 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -42.21 -59.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.713 ' CD2' HG21 ' A' ' 76' ' ' VAL . 66.4 t80 -46.23 -56.98 4.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -53.14 -48.03 68.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.81 -44.53 66.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -64.68 -49.02 72.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.574 HG12 HG11 ' A' ' 68' ' ' VAL . 73.9 t -54.82 -54.75 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 26' ' ' ILE . 76.4 mt -54.14 -27.04 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -83.83 -23.33 31.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 88' ' ' THR . 5.5 m-80 -75.11 -45.75 39.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.545 ' HB ' HG22 ' A' ' 92' ' ' VAL . 69.0 p -39.77 160.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 90' ' ' GLY . 10.0 mmtp -132.48 -170.77 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.13 -82.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -81.93 137.74 35.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.566 HG21 HD21 ' A' ' 22' ' ' LEU . 38.6 t -139.27 132.3 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.407 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -102.79 104.71 15.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.627 ' HZ ' HD22 ' A' ' 22' ' ' LEU . 94.3 m-85 -98.1 121.18 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.1 t -98.85 92.81 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.1 mm -81.66 156.38 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.563 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -116.39 102.49 1.06 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.843 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.54 150.89 20.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.763 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.33 114.76 20.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -76.2 156.77 83.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.67 5.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.5 m 70.95 56.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.03 -153.79 13.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 88.79 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.5 t -154.64 147.11 24.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -89.1 147.95 23.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -70.38 161.29 30.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.049 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.71 157.26 18.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.47 -153.63 29.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.172 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -177.8 -60.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.06 109.02 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.08 79.55 0.27 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.784 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -125.36 149.98 47.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.5 tt0 -81.24 94.62 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 66' ' ' VAL . 42.9 mt -93.47 111.24 22.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 23.4 p90 -132.92 132.43 22.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.82 12.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.752 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 94' ' ' PHE . 31.4 t -119.2 123.25 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -81.74 136.27 35.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.7 mt -136.28 132.18 35.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.95 98.3 9.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.76 ' HG2' HD23 ' A' ' 22' ' ' LEU . 1.4 mtpt -40.65 159.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' GLY . 12.8 m-20 -122.18 176.44 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -49.18 -22.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 15.7 t0 -100.19 -25.17 14.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 126.46 -141.3 12.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.76 HD23 ' HG2' ' A' ' 17' ' ' LYS . 29.8 mt -63.07 -53.78 48.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.02 43.17 6.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.748 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.3 pt -143.85 165.0 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -119.69 145.58 46.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.983 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.582 HG21 HD11 ' A' ' 85' ' ' LEU . 2.1 pt -118.36 179.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.56 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -155.69 139.18 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.23 109.39 3.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.474 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.6 mmm -129.82 160.85 32.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.0 111.88 3.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.62 HG12 ' H ' ' A' ' 32' ' ' GLY . 1.4 t -80.21 -155.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.62 ' H ' HG12 ' A' ' 31' ' ' VAL . . . -35.92 95.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . -126.28 104.78 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -94.98 30.8 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.05 54.84 3.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.25 -51.05 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.576 HD12 ' H ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -113.35 47.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.28 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.83 131.89 48.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.7 mmtm -127.5 110.1 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -70.53 116.1 10.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.5 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -96.55 121.71 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.8 111.09 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.56 ' HB2' HG23 ' A' ' 27' ' ' ILE . 77.0 m-85 -109.02 164.79 12.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.894 HG23 ' OD1' ' A' ' 63' ' ' ASP . 44.2 t -88.42 106.15 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -58.32 -42.2 86.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.58 ' HA ' HG22 ' A' ' 61' ' ' VAL . 6.7 t -170.83 176.44 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.534 HG23 HG22 ' A' ' 61' ' ' VAL . 88.2 t -129.38 123.75 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -59.58 134.77 57.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.97 108.28 5.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.67 14.93 35.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.24 -165.17 37.41 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -81.3 -57.53 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.748 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -56.98 -33.95 67.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -64.81 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -41.02 -46.64 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -60.42 -49.02 79.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 90.07 -36.77 3.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -38.38 -67.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.276 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.8 mt -67.43 136.12 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 10.3 mm-40 -120.35 177.08 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.352 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.0 t -84.96 147.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 12.8 m-80 78.29 2.7 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.894 ' OD1' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -64.99 179.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.46 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 13.3 tt0 -131.71 113.98 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.67 ' CG2' HD12 ' A' ' 73' ' ' LEU . 10.6 mt -85.14 86.71 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.568 HG13 HG21 ' A' ' 74' ' ' VAL . 53.2 t -63.85 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 2.5 tt0 -145.68 159.5 43.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.36 113.29 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 93' ' ' ARG . 12.2 t0 57.43 26.58 12.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 102.58 -27.35 20.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.653 HG21 HG21 ' A' ' 84' ' ' VAL . 97.6 mt -65.91 141.52 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -96.91 121.98 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.67 HD12 ' CG2' ' A' ' 65' ' ' ILE . 14.8 mt -105.53 26.66 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.568 HG21 HG13 ' A' ' 66' ' ' VAL . 71.0 t -104.22 132.72 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.41 33.08 83.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.567 HG21 ' CD1' ' A' ' 80' ' ' PHE . 6.0 m -129.29 150.65 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 80' ' ' PHE . 10.2 t -68.51 140.62 55.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -40.83 -35.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.5 -54.27 45.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.567 ' CD1' HG21 ' A' ' 76' ' ' VAL . 22.7 t80 -48.36 -55.08 11.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.67 -47.26 73.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.94 77.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.9 m -61.87 -48.56 79.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.653 HG21 HG21 ' A' ' 71' ' ' ILE . 39.6 t -56.35 -57.61 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 26' ' ' ILE . 57.2 mt -51.63 -25.39 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -86.0 -23.47 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' VAL . 6.2 m-80 -80.62 -35.81 33.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 84' ' ' VAL . 44.0 p -43.59 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 90' ' ' GLY . 2.0 mmpt? -134.19 -169.38 2.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -23.95 -82.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.16 137.67 35.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.528 HG21 HD21 ' A' ' 22' ' ' LEU . 22.8 t -141.02 132.46 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -100.15 124.84 46.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.658 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 80.3 m-85 -114.78 121.04 42.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 95' ' ' VAL . 4.8 t -96.46 91.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.693 HG23 ' OD2' ' A' ' 63' ' ' ASP . 2.3 mm -80.28 154.25 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.655 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -119.97 108.43 1.46 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.784 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -104.98 148.56 26.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 110.312 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 114.05 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.35 157.43 90.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 177.52 8.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.441 1.758 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -173.16 77.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.17 149.47 5.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 169.77 21.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.88 107.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 m -113.14 104.02 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -121.66 135.35 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.003 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 63.03 167.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.85 -156.05 32.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 t -87.43 -45.97 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.761 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -136.79 110.38 8.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.74 77.55 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -116.6 161.71 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.7 tt0 -95.18 96.6 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.616 HD22 ' N ' ' A' ' 10' ' ' LEU . 1.1 mm? -93.86 111.29 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 21.6 p90 -133.95 134.21 22.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.2 Cg_endo -74.99 131.38 14.24 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.423 1.749 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' PHE . 21.8 t -121.45 128.49 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.472 ' CG ' ' NE ' ' A' ' 93' ' ' ARG . 6.9 mt-10 -86.44 145.53 26.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 15' ' ' LEU . 5.8 mt -150.42 135.93 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.35 123.3 47.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 88' ' ' THR . 65.9 mttt -56.68 149.22 18.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.7 ' OD2' ' HB2' ' A' ' 52' ' ' ALA . 6.0 m-20 -124.81 176.25 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -39.52 -29.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ASP . 33.9 t0 -118.43 51.36 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 53.5 -137.15 39.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.726 HD21 HG21 ' A' ' 92' ' ' VAL . 2.8 mt -75.16 -53.0 9.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.3 49.32 3.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.752 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -138.51 152.98 25.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 0.731 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -109.0 140.67 42.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.671 HG21 ' CD1' ' A' ' 85' ' ' LEU . 1.4 pt -116.18 158.39 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.632 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -135.66 135.35 51.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.87 107.93 3.61 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.467 ' CG ' HG12 ' A' ' 27' ' ' ILE . 2.1 mmm -128.64 160.96 30.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -100.91 112.4 4.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -96.31 135.83 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.79 75.03 0.08 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.26 100.76 7.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -94.0 27.41 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 63.06 51.77 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.93 -49.88 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.99 39.84 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -63.37 126.45 27.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HD2' HG12 ' A' ' 74' ' ' VAL . 7.7 mttt -127.59 99.4 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.455 HD12 ' HA2' ' A' ' 30' ' ' GLY . 5.4 tp -59.27 129.04 40.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.411 ' HA3' HG21 ' A' ' 31' ' ' VAL . . . -106.37 126.0 8.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.408 HG13 ' HB2' ' A' ' 81' ' ' ALA . 26.7 mm -87.72 100.16 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.632 ' HB2' HG23 ' A' ' 27' ' ' ILE . 88.9 m-85 -101.95 163.85 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.591 HG21 ' OD2' ' A' ' 63' ' ' ASP . 21.3 t -92.1 101.67 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -55.45 -42.76 74.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.776 ' HA ' HG22 ' A' ' 61' ' ' VAL . 3.6 t -170.75 171.4 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.579 HG22 HG22 ' A' ' 24' ' ' ILE . 86.6 t -125.41 123.22 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -50.91 138.71 18.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -72.22 115.74 11.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 37.57 16.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.36 -169.57 28.01 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.7 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . . . -80.01 -38.99 30.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.752 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -74.94 -33.01 61.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -66.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -42.52 -37.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -56.59 -56.59 19.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.45 -36.0 4.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.506 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -47.31 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 0.805 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.9 mt -67.8 131.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 12.8 mt-30 -130.44 150.76 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.776 HG22 ' HA ' ' A' ' 46' ' ' THR . 90.2 t -42.35 150.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.8 m-80 76.97 0.7 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.977 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -64.22 142.11 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.479 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 32.0 tt0 -110.01 106.61 16.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.742 HG22 HD12 ' A' ' 73' ' ' LEU . 11.9 mt -79.37 88.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.89 -36.79 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.5 tt0 -144.26 158.64 43.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.585 HG23 ' CG2' ' A' ' 65' ' ' ILE . 1.2 t -143.35 117.66 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 53.06 21.16 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.76 -28.58 11.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.522 HG21 ' CG2' ' A' ' 84' ' ' VAL . 36.0 mt -66.03 136.16 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -89.56 136.5 32.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.742 HD12 HG22 ' A' ' 65' ' ' ILE . 57.9 mt -121.54 41.88 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 76' ' ' VAL . 91.6 t -110.88 131.59 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.27 81.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 74' ' ' VAL . 4.4 m -118.2 145.85 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.746 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' GLN . 3.1 t -68.79 140.52 55.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' THR . 4.4 tt0 -38.68 -42.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -51.69 -58.2 7.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 4.6 t80 -45.08 -54.9 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.408 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -52.91 -57.95 8.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' ALA . . . -40.02 -50.76 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' ASN . 85.7 m -55.22 -51.95 64.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.581 HG12 HG11 ' A' ' 68' ' ' VAL . 25.0 t -53.17 -57.76 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.671 ' CD1' HG21 ' A' ' 26' ' ' ILE . 33.7 mt -58.26 -19.92 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.43 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 1.7 ttt180 -89.28 -25.6 21.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 83' ' ' THR . 1.4 m120 -81.73 -35.71 29.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.476 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 1.9 p -40.11 161.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.579 ' O ' ' C ' ' A' ' 90' ' ' GLY . 5.7 mmpt? -133.17 -170.61 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -20.27 -82.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -80.68 140.19 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.726 HG21 HD21 ' A' ' 22' ' ' LEU . 47.3 t -141.61 117.97 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.472 ' NE ' ' CG ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -91.57 110.99 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.597 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 97.2 m-85 -104.6 123.71 48.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.6 t -98.81 93.99 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.977 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.4 mm -79.58 156.2 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.595 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -125.66 102.4 0.66 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.798 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -105.38 154.28 20.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.59 123.44 21.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -78.43 157.98 76.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 126.09 9.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.35 80.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.33 168.8 11.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.1 p -135.65 135.37 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.7 m -113.12 147.18 37.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -85.06 127.66 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.98 144.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.76 158.57 7.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.68 121.42 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -179.59 91.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.58 91.0 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.713 HD23 ' N ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -127.98 -169.89 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.7 tt0 -115.08 96.05 5.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.685 HD22 HG21 ' A' ' 66' ' ' VAL . 25.8 mt -93.34 110.84 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 21.3 p90 -127.88 132.46 24.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -75.01 130.97 13.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' PHE . 40.7 t -122.36 119.07 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.77 134.8 35.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.599 ' CD1' HD12 ' A' ' 59' ' ' ILE . 6.9 mt -135.15 143.26 46.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.1 mt-10 -108.09 109.49 20.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 29.4 mttt -38.5 152.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.832 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 3.0 m-20 -121.76 176.92 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -47.71 -24.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -104.29 -23.11 13.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.38 -132.05 8.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.601 HD22 ' HZ ' ' A' ' 94' ' ' PHE . 22.3 mt -66.2 -52.57 46.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.774 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 24' ' ' ILE . . . 82.05 51.41 4.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.686 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 12.7 pt -151.81 152.13 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.69 147.77 31.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 85' ' ' LEU . 1.2 pt -125.81 160.74 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.641 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -135.61 139.96 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.88 117.2 5.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.746 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.7 mmm -135.48 153.53 51.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.598 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -97.4 107.32 3.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.436 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.9 t -86.86 143.79 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 35.48 73.33 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.75 105.96 17.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -102.97 31.47 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 57.61 47.2 16.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.55 -45.29 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.35 62.39 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.786 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.85 141.77 35.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.0 97.07 4.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -49.47 130.51 20.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.436 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -113.05 120.35 5.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.463 HG13 ' HB2' ' A' ' 81' ' ' ALA . 22.9 mm -86.36 102.73 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.641 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.3 m-85 -102.56 164.06 11.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 61' ' ' VAL . 10.3 t -91.65 104.2 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -56.77 -43.13 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.725 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.8 t -170.29 175.24 4.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.41 ' N ' ' OG1' ' A' ' 46' ' ' THR . 70.8 t -123.82 125.27 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -55.51 150.81 11.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.95 111.82 18.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.82 11.67 61.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.68 -170.85 6.46 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.832 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -81.63 -46.27 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.686 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -68.19 -34.45 76.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.71 -59.35 5.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -49.98 -51.36 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -46.43 -56.22 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.449 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 92.42 11.42 59.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -92.81 -65.92 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' A' ' 15' ' ' LEU . 23.5 mt -68.69 115.78 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 15.6 mm-40 -104.74 174.69 5.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 46' ' ' THR . 52.4 t -74.92 149.42 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 8.9 m-80 76.63 0.52 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 14.6 m-20 -62.64 159.93 15.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 39.2 tt0 -121.35 110.17 15.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.522 ' CG2' HG23 ' A' ' 68' ' ' VAL . 7.8 mt -77.85 88.59 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.685 HG21 HD22 ' A' ' 10' ' ' LEU . 56.2 t -65.0 -38.03 81.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.9 tt0 -147.12 155.17 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.84 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -139.97 118.47 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 52.04 21.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.415 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.41 -27.59 15.0 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.581 HG21 ' CG2' ' A' ' 84' ' ' VAL . 42.9 mt -66.81 140.47 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -94.51 128.4 41.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.728 HD21 HG11 ' A' ' 84' ' ' VAL . 17.3 mt -112.13 39.29 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.665 ' O ' HG13 ' A' ' 76' ' ' VAL . 83.1 t -111.38 139.45 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.17 42.71 88.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 74' ' ' VAL . 10.9 m -137.57 145.03 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' GLN . 9.9 t -68.42 143.45 55.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' THR . 13.3 tt0 -37.94 -47.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.44 -57.73 2.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' A' ' 76' ' ' VAL . 8.6 t80 -50.45 -51.93 42.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.29 -51.05 65.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.59 -47.13 28.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 87' ' ' ASN . 82.7 m -57.18 -53.02 62.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.456 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.84 HG12 HG11 ' A' ' 68' ' ' VAL . 99.5 t -52.04 -55.93 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 26' ' ' ILE . 34.9 mt -61.03 -20.13 62.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -88.46 -25.09 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' THR . 1.4 m120 -81.98 -37.58 26.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 84' ' ' VAL . 6.5 p -37.05 150.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.58 ' O ' ' C ' ' A' ' 90' ' ' GLY . 19.6 mttt -125.17 -171.34 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -20.29 -82.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -82.94 141.43 32.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.527 HG21 HD21 ' A' ' 22' ' ' LEU . 40.9 t -141.12 133.63 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.402 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -104.29 106.27 16.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.623 ' CD1' HG22 ' A' ' 68' ' ' VAL . 95.6 m-85 -100.3 120.6 40.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -100.31 92.7 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.631 HD13 ' N ' ' A' ' 96' ' ' ILE . 2.3 mm -80.38 158.9 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.695 ' C ' HD23 ' A' ' 8' ' ' LEU . . . -122.69 119.45 3.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.713 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -118.44 150.63 39.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.38 125.67 26.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.23 157.84 47.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -168.57 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.9 t -178.08 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -144.61 175.2 24.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.92 43.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.1 p -170.15 147.46 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m -108.94 116.38 31.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -102.58 160.7 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 p -110.39 137.54 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.83 -58.33 0.63 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -72.92 144.36 47.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.945 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' GLY . 15.1 m -44.04 -53.97 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.44 66.35 0.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -130.73 162.15 30.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -95.32 95.72 8.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.449 HD13 ' HA2' ' A' ' 97' ' ' GLY . 1.4 mm? -93.8 111.16 22.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 19.9 p90 -132.36 135.27 26.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.1 Cg_endo -75.05 134.66 17.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 94' ' ' PHE . 37.4 t -126.39 126.04 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -85.47 147.4 26.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.758 HD22 ' HB1' ' A' ' 52' ' ' ALA . 4.6 mt -150.28 134.11 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -104.09 108.76 20.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.453 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 64.4 mttt -41.63 145.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.686 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -118.65 175.7 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -41.49 -27.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 18' ' ' ASP . 6.0 t70 -118.57 49.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 58.56 -147.93 38.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.642 HD21 HG21 ' A' ' 92' ' ' VAL . 4.5 mt -61.84 -58.46 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.94 52.47 1.18 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.765 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.1 pt -150.86 158.41 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 m -116.03 146.64 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.52 HG21 HD11 ' A' ' 85' ' ' LEU . 1.3 pt -121.97 162.52 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.616 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -136.47 139.52 45.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.55 114.35 4.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.674 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.5 mmm -132.26 152.76 51.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.62 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -93.38 108.59 3.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -86.79 132.73 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.56 91.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.79 106.86 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 0.724 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -109.75 43.55 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 49.01 58.02 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 158.98 -57.59 0.33 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.0 mt -99.41 61.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.89 132.39 50.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -127.51 119.47 26.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -71.75 129.47 38.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' MET . . . -105.46 138.09 14.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.609 HG13 ' HB2' ' A' ' 81' ' ' ALA . 21.6 mm -102.32 96.82 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.616 ' HB2' HG23 ' A' ' 27' ' ' ILE . 90.8 m-85 -100.52 163.36 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.593 HG21 ' OD2' ' A' ' 63' ' ' ASP . 23.1 t -91.32 106.85 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -60.32 -41.14 92.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.731 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.5 t -170.41 174.43 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 24' ' ' ILE . 80.8 t -123.98 126.74 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -54.17 148.83 10.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.45 103.04 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.34 7.74 51.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.02 -174.72 27.57 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.758 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -70.98 -62.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 0.705 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.765 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -53.29 -29.11 31.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -70.74 -62.77 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -56.25 -30.54 62.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -65.58 -51.95 55.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.43 -35.0 4.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.536 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -46.06 -70.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.5 mt -67.56 133.92 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -130.84 148.11 52.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.731 HG22 ' HA ' ' A' ' 46' ' ' THR . 97.0 t -40.97 150.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.0 m-80 76.89 0.41 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.957 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -63.44 142.7 58.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.474 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 36.0 tt0 -109.88 105.42 14.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.641 ' CG2' HG23 ' A' ' 68' ' ' VAL . 7.5 mt -76.86 85.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.556 HG13 HG21 ' A' ' 74' ' ' VAL . 58.9 t -63.18 -38.9 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 9.3 tt0 -143.94 155.56 44.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.641 HG23 ' CG2' ' A' ' 65' ' ' ILE . 1.2 t -140.78 119.71 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 51.44 21.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.411 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.92 -28.37 12.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.589 HD12 HG13 ' A' ' 84' ' ' VAL . 68.8 mt -66.05 136.61 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t -92.09 123.02 35.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.581 HD23 ' HE1' ' A' ' 80' ' ' PHE . 45.1 mt -107.58 35.88 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.652 ' O ' HG13 ' A' ' 76' ' ' VAL . 48.6 t -106.82 138.04 34.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.1 42.08 86.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.709 HG21 ' CD1' ' A' ' 80' ' ' PHE . 14.0 m -135.37 144.7 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 80' ' ' PHE . 9.0 t -66.71 138.18 57.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 110.379 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' THR . 8.5 tt0 -36.12 -45.94 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.35 -51.29 6.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.709 ' CD1' HG21 ' A' ' 76' ' ' VAL . 45.7 t80 -57.29 -53.31 59.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.609 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -56.19 -45.37 79.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.92 73.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.5 m -62.51 -51.22 68.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.6 HG12 HG11 ' A' ' 68' ' ' VAL . 76.3 t -53.72 -56.77 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.52 HD11 HG21 ' A' ' 26' ' ' ILE . 70.4 mt -52.89 -27.2 17.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -85.17 -23.65 28.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 84' ' ' VAL . 6.5 m-20 -75.77 -41.88 51.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 84' ' ' VAL . 64.2 p -43.81 163.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.597 ' O ' ' C ' ' A' ' 90' ' ' GLY . 6.0 mmtt -134.48 -169.32 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.35 -80.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -81.93 138.09 35.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.77 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.642 HG21 HD21 ' A' ' 22' ' ' LEU . 36.9 t -141.28 133.46 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.4 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -104.66 106.97 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.62 ' CD1' HG22 ' A' ' 68' ' ' VAL . 99.1 m-85 -100.92 123.37 45.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -99.99 94.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.957 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.7 mm -80.17 156.12 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.578 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -124.83 102.8 0.7 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.821 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -104.56 154.5 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.237 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.62 124.37 23.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -77.12 158.15 80.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.42 9.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -176.86 79.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.045 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.02 157.88 31.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.411 1.07 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.62 3.61 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.445 1.76 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.1 162.73 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.93 134.52 38.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.26 137.06 47.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 0.791 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.57 115.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.95 -79.46 0.84 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.549 1.155 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m 62.04 150.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t 61.7 126.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.506 ' O ' HD22 ' A' ' 8' ' ' LEU . . . -146.33 76.88 0.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.89 HD13 ' C ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -117.87 157.89 25.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 6.9 pt-20 -108.96 111.84 23.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.598 HD23 ' HA2' ' A' ' 97' ' ' GLY . 37.7 mt -99.13 110.39 22.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.55 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 4.6 p90 -126.19 135.57 27.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.5 10.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.6 t -117.99 124.02 72.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -83.76 144.31 29.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 15' ' ' LEU . 7.3 mt -146.71 138.29 24.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -106.92 114.94 29.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 21.9 mttt -41.4 147.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -115.83 175.83 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -48.09 -23.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -105.72 -22.17 13.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 121.41 -137.0 11.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 93.1 mt -59.24 -57.66 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.18 51.08 3.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.739 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.2 pt -152.31 163.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.9 m -113.89 152.86 30.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.648 HG21 ' CD1' ' A' ' 85' ' ' LEU . 2.8 pt -130.34 158.22 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.478 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -138.88 137.88 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.95 112.66 4.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.2 mmm -131.13 162.67 29.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.489 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -103.82 116.61 5.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.4 t -98.44 140.34 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 35.74 74.57 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.89 111.76 24.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -105.27 40.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 47.63 59.02 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.77 -49.05 0.62 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.4 mt -101.32 61.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 0.804 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -100.9 142.73 31.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HD2' HG12 ' A' ' 74' ' ' VAL . 2.3 mmtt -127.85 97.48 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD12 ' HA2' ' A' ' 30' ' ' GLY . 5.7 tp -54.32 124.37 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -103.46 121.83 7.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.518 HG13 ' HB2' ' A' ' 81' ' ' ALA . 25.5 mm -84.06 100.31 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.478 ' HB2' HG23 ' A' ' 27' ' ' ILE . 87.6 m-85 -101.78 163.42 12.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.5 t -93.79 112.36 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -63.42 -40.85 98.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.734 ' HA ' HG22 ' A' ' 61' ' ' VAL . 8.6 t -170.49 179.88 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.437 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 24' ' ' ILE . 92.9 t -127.83 131.72 69.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -63.82 138.21 58.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.07 102.39 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.52 31.28 5.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.5 -157.67 29.7 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.996 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -89.21 -48.39 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.739 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -65.97 -33.02 74.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -65.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -40.68 -49.26 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.6 -55.28 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 92.63 -0.51 70.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.494 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -76.08 -68.48 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 110.298 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.3 mt -69.07 134.81 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 6.9 mm-40 -118.5 175.49 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' A' ' 46' ' ' THR . 53.1 t -70.62 148.68 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 12.1 m-80 77.5 3.28 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 1.029 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -61.83 142.48 57.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.506 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 36.6 tt0 -106.61 103.13 12.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.649 ' CG2' HG23 ' A' ' 68' ' ' VAL . 9.2 mt -73.24 84.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.442 HG21 HD22 ' A' ' 10' ' ' LEU . 57.7 t -62.68 -37.15 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.1 tt0 -146.12 157.23 43.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.649 HG23 ' CG2' ' A' ' 65' ' ' ILE . 1.2 t -143.18 118.32 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 52.87 20.76 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.415 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.33 -27.83 13.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.438 HG21 HG21 ' A' ' 84' ' ' VAL . 62.0 mt -66.43 136.09 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.02 122.56 34.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.998 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.567 HD23 ' HE1' ' A' ' 80' ' ' PHE . 42.3 mt -106.86 41.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.769 ' O ' HG13 ' A' ' 76' ' ' VAL . 89.6 t -109.4 139.83 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.377 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.416 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 53.23 42.42 63.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 74' ' ' VAL . 5.2 m -131.33 150.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.472 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 10.0 t -68.22 140.0 56.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -37.51 -41.07 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.19 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.685 ' CD1' HG21 ' A' ' 76' ' ' VAL . 54.5 t80 -40.1 -56.83 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -55.8 -51.52 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.01 -46.45 52.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 53.4 m -60.95 -50.38 73.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.556 HG11 HD21 ' A' ' 73' ' ' LEU . 51.2 t -54.15 -56.3 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.648 ' CD1' HG21 ' A' ' 26' ' ' ILE . 50.4 mt -53.13 -25.53 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -86.68 -24.32 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -76.85 -37.79 54.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 84' ' ' VAL . 47.6 p -41.54 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.614 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.3 mmtt -134.84 -172.05 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.65 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -80.55 138.88 36.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 31.4 t -142.02 129.63 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 68' ' ' VAL . 1.1 mpp_? -102.86 121.12 41.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.63 ' CD1' HG22 ' A' ' 68' ' ' VAL . 99.2 m-85 -113.71 121.68 44.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.7 t -94.8 94.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 1.029 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.1 mm -79.61 146.57 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.598 ' HA2' HD23 ' A' ' 10' ' ' LEU . . . -117.96 102.21 0.96 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.89 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -101.25 156.31 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.506 ' N ' HD13 ' A' ' 8' ' ' LEU . 25.3 tt0 -97.47 131.98 43.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.484 ' CG ' ' OE1' ' A' ' 9' ' ' GLU . 9.5 mtmt -113.37 158.19 39.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.7 22.03 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.7 p -117.28 82.61 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 127.97 -177.0 17.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.07 7.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.4 m -169.14 170.21 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -94.15 114.27 26.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.949 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.53 165.65 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.88 -56.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.65 167.29 0.3 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -109.35 113.57 26.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.51 98.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.17 69.25 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -127.12 146.97 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.1 tt0 -81.38 95.68 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.579 HD22 HG21 ' A' ' 66' ' ' VAL . 37.8 mt -93.6 111.09 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.601 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 20.8 p90 -133.05 132.59 22.42 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.28 14.13 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' PHE . 42.2 t -121.5 123.12 68.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -82.15 136.29 35.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.754 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.7 mt -138.94 133.25 31.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.58 120.86 37.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' CD ' ' O ' ' A' ' 89' ' ' LYS . 2.1 mtpt -65.42 132.55 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.8 m-20 -110.08 176.28 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -39.55 -29.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' ASP . 13.9 t70 -111.74 52.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 49.98 -133.23 28.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.665 HD22 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -78.59 -52.59 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.41 41.51 3.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.673 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -137.64 156.34 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -111.93 156.86 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.634 HG21 ' CD1' ' A' ' 85' ' ' LEU . 1.7 pt -127.81 177.79 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.575 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -153.26 139.18 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.09 109.93 3.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.496 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.6 mmm -128.19 158.51 37.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -105.31 111.28 3.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.434 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.1 t -92.04 139.45 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.444 ' O ' HD12 ' A' ' 37' ' ' LEU . . . 36.84 59.02 1.13 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.68 101.09 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.13 35.64 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.83 55.74 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.0 -39.79 0.13 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -112.71 28.56 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.42 96.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -127.57 99.6 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 29' ' ' MET . 7.4 tp -61.38 131.02 48.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.434 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -107.37 116.97 5.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.426 HG13 ' HB2' ' A' ' 81' ' ' ALA . 27.0 mm -83.92 101.76 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.575 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.6 m-85 -101.96 163.91 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 61' ' ' VAL . 12.5 t -89.52 104.56 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -55.14 -45.24 75.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.694 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.4 t -170.53 179.39 3.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.619 HG22 HG22 ' A' ' 24' ' ' ILE . 65.2 t -131.29 129.8 62.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -61.9 134.3 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.89 110.07 5.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.85 33.01 9.35 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.45 -158.48 30.79 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -88.59 -49.95 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.754 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -64.37 -36.58 84.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -65.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -41.87 -44.38 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -47.56 -55.87 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.18 -4.09 77.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.441 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.0 -64.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.341 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.481 ' CD1' HD12 ' A' ' 15' ' ' LEU . 5.8 mt -68.89 131.47 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 7.3 mm-40 -119.16 174.99 6.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.694 HG22 ' HA ' ' A' ' 46' ' ' THR . 54.0 t -79.03 148.23 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.1 m-80 77.2 0.8 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.439 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 15.7 m-20 -63.12 172.14 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -128.26 109.87 11.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.46 ' CG2' HG23 ' A' ' 68' ' ' VAL . 57.6 mt -80.92 86.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.597 HG13 HG21 ' A' ' 74' ' ' VAL . 54.6 t -62.45 -39.32 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 4.7 tt0 -146.5 156.88 43.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.646 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -142.02 114.69 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 69' ' ' ASP . 16.4 t0 55.81 28.12 11.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.31 -26.15 25.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.797 HD12 HG13 ' A' ' 84' ' ' VAL . 85.3 mt -67.05 139.62 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.404 ' C ' HD23 ' A' ' 73' ' ' LEU . 3.1 t -95.15 120.34 35.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.971 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.451 HD12 ' CG2' ' A' ' 65' ' ' ILE . 9.3 mt -104.6 27.13 8.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.597 HG21 HG13 ' A' ' 66' ' ' VAL . 77.4 t -104.51 137.07 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.24 33.19 79.21 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 74' ' ' VAL . 12.0 m -127.7 148.99 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.777 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.463 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 6.8 t -69.46 144.39 53.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' THR . 32.0 tt0 -38.57 -48.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.32 -61.69 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.578 ' CD1' HG21 ' A' ' 76' ' ' VAL . 36.1 t80 -43.26 -58.14 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -55.36 -48.45 74.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.487 ' O ' ' CG ' ' A' ' 86' ' ' ARG . . . -55.16 -45.24 75.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -57.92 -55.51 33.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.797 HG13 HD12 ' A' ' 71' ' ' ILE . 60.5 t -54.48 -62.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.634 ' CD1' HG21 ' A' ' 26' ' ' ILE . 23.7 mt -53.29 -18.26 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -93.39 -19.22 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.255 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.56 ' OD1' ' C ' ' A' ' 87' ' ' ASN . 34.3 p30 -106.26 11.95 30.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.73 ' HB ' HG21 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -67.16 141.83 57.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' ' C ' ' A' ' 90' ' ' GLY . 2.1 mmtt -99.25 -179.67 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -28.81 -84.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -82.37 133.28 35.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.73 HG21 ' HB ' ' A' ' 88' ' ' THR . 23.0 t -133.37 127.91 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -94.01 121.06 35.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.665 ' CZ ' HD22 ' A' ' 22' ' ' LEU . 89.2 m-85 -110.48 120.77 43.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 95' ' ' VAL . 6.0 t -97.34 91.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.68 HD13 ' N ' ' A' ' 96' ' ' ILE . 1.8 mm -80.92 154.04 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.689 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -117.18 109.14 1.83 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.731 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -100.35 139.16 36.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.59 112.62 5.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -74.08 158.36 85.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 129.16 12.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.767 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.9 p -157.73 81.17 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.05 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.73 156.66 10.68 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.02 15.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.82 153.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.4 m -98.93 136.99 38.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.21 141.72 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -153.67 159.2 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -155.31 -77.53 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER 58.38 -87.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' GLY . 88.6 p -44.32 96.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -130.58 93.03 0.3 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -126.77 -171.8 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 2.1 tt0 -104.94 94.47 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.617 HD22 HG21 ' A' ' 66' ' ' VAL . 21.7 mt -94.51 110.24 22.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 10.9 p90 -124.9 133.86 25.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.25 17.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 110.99 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 94' ' ' PHE . 43.8 t -127.46 118.29 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.14 139.19 34.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.632 HD11 ' HA ' ' A' ' 53' ' ' ALA . 3.6 mt -139.14 140.45 37.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 4.2 mt-10 -109.82 106.76 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.446 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 68.3 mttt -39.66 156.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.676 ' OD2' ' HB2' ' A' ' 52' ' ' ALA . 6.3 m-20 -129.9 176.35 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 20' ' ' ASP . 0.8 OUTLIER -40.75 -29.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 5.8 t0 -120.92 49.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 58.91 -142.93 45.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.565 1.165 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 1.2 mt -74.14 -56.32 5.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.0 49.25 1.94 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.732 HG22 HG22 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -141.85 152.6 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 m -107.07 155.52 19.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.666 HG21 HD11 ' A' ' 85' ' ' LEU . 1.4 pt -133.05 157.09 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -133.85 142.9 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.62 117.52 5.82 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.755 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -133.67 156.2 48.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.579 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -97.59 103.91 2.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.458 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -84.83 141.09 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 35.93 79.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.22 94.53 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -77.16 -64.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -178.85 36.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 157.54 -24.3 0.44 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 37' ' ' LEU . 4.5 pp -97.96 36.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -76.64 127.38 32.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -121.54 96.87 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -53.41 131.16 37.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.32 120.35 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.591 HG13 ' HB2' ' A' ' 81' ' ' ALA . 20.8 mm -84.14 99.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.546 ' HB2' HG23 ' A' ' 27' ' ' ILE . 93.9 m-85 -99.56 163.9 12.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 61' ' ' VAL . 11.3 t -90.36 110.49 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -61.07 -45.64 93.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.672 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.8 t -170.21 171.6 6.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.732 HG22 HG22 ' A' ' 24' ' ' ILE . 95.0 t -123.59 122.42 64.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -51.86 137.74 25.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.79 94.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.84 40.71 2.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.76 -171.96 29.08 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.676 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . . . -75.33 -45.02 42.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.715 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -69.33 -31.8 70.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.48 -65.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -40.6 -43.97 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -51.81 -55.98 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.68 -3.51 71.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.469 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -82.23 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.453 ' CD1' HD12 ' A' ' 15' ' ' LEU . 11.1 mt -67.85 123.6 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 3.0 mm-40 -112.87 175.24 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.672 HG22 ' HA ' ' A' ' 46' ' ' THR . 53.0 t -78.19 148.2 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.3 m-80 77.23 0.16 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.354 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 16.1 m-20 -61.91 171.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 31.9 tt0 -129.52 110.87 12.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.554 ' CG2' HG23 ' A' ' 68' ' ' VAL . 12.6 mt -81.04 88.06 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.617 HG21 HD22 ' A' ' 10' ' ' LEU . 44.5 t -64.13 -39.84 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 9.4 tt0 -143.83 158.65 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.686 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -143.74 118.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.2 21.25 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.404 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.12 -27.42 14.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 111.057 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.589 HD12 HG13 ' A' ' 84' ' ' VAL . 64.5 mt -66.4 136.43 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.1 t -92.45 124.12 36.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 110.014 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.669 HD23 ' HE2' ' A' ' 80' ' ' PHE . 75.8 mt -107.99 43.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.753 ' O ' HG13 ' A' ' 76' ' ' VAL . 97.5 t -111.87 139.47 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.49 41.8 64.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.753 HG13 ' O ' ' A' ' 74' ' ' VAL . 11.9 m -133.86 145.19 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 78' ' ' GLN . 10.0 t -68.24 140.87 56.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 77' ' ' THR . 12.1 tt0 -37.23 -45.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -44.18 -55.45 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.736 ' CD2' HG21 ' A' ' 76' ' ' VAL . 68.7 t80 -49.9 -56.36 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.591 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.75 -47.36 73.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.33 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.6 m -64.49 -49.42 71.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.686 HG12 HG11 ' A' ' 68' ' ' VAL . 96.5 t -54.05 -57.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.666 HD11 HG21 ' A' ' 26' ' ' ILE . 66.3 mt -52.58 -28.13 19.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -83.83 -22.38 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' VAL . 1.5 m-80 -79.42 -45.8 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.485 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 9.9 p -38.07 155.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.587 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.0 OUTLIER -128.65 -170.42 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.79 -80.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.85 138.95 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.649 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 40.1 t -141.18 132.84 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 103.47 13.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.649 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 99.3 m-85 -99.33 121.75 41.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -101.07 92.68 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.587 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.6 mm -80.31 157.08 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.485 ' C ' HD23 ' A' ' 8' ' ' LEU . . . -121.04 121.77 4.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.622 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -115.59 144.33 44.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.94 108.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -67.61 157.99 84.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 179.84 5.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.456 1.766 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 t -164.36 77.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.21 159.34 15.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.137 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 166.25 29.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 149.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.035 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.0 t -100.96 147.93 25.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.053 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -114.81 156.27 25.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.992 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -77.29 102.48 6.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.54 -144.64 4.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m 63.8 153.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.048 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.4 p -39.21 140.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.13 74.4 0.44 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.773 HD13 ' C ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -126.13 155.0 42.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -90.29 97.73 11.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -94.98 110.9 22.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.6 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.35 136.12 28.16 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -74.99 134.96 18.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 94' ' ' PHE . 24.6 t -127.49 122.47 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.01 136.12 34.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.856 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.8 mt -143.07 128.52 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -95.47 127.54 41.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 40.9 mttt -62.75 149.96 42.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.65 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -121.46 175.44 6.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ASP . 10.2 pt-20 -38.69 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ASP . 5.3 t70 -119.16 53.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 56.15 -148.81 28.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -68.02 -56.55 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.3 38.04 2.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.897 HG22 HG22 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -132.35 156.48 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 m -113.62 156.1 24.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.543 HG21 HD11 ' A' ' 85' ' ' LEU . 1.9 pt -124.94 171.9 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -148.73 143.53 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.51 112.14 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.7 mmm -133.66 158.76 42.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -109.43 112.29 3.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -96.65 141.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.66 60.56 0.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.463 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -75.32 100.74 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.572 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 1.7 m-20 -87.89 46.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 34' ' ' ASP . . . 75.85 -75.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.34 -18.75 8.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.2 61.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 13.2 pt-20 -101.7 155.56 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.29 98.52 5.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 76' ' ' VAL . 5.2 tp -55.86 112.39 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -92.1 114.49 4.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 73' ' ' LEU . 18.6 mm -83.27 99.87 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.452 0.737 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 86.6 m-85 -98.7 163.49 12.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -87.63 110.42 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -61.84 -42.5 99.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.656 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.1 t -170.36 172.65 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.897 HG22 HG22 ' A' ' 24' ' ' ILE . 92.8 t -127.22 125.37 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.3 m -51.15 138.69 19.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -71.37 99.81 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.0 28.16 9.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.05 -168.46 42.86 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.65 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -72.35 -59.28 2.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.856 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -61.29 -24.85 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -65.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -47.56 -47.29 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -49.0 -55.74 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.9 -32.37 6.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -49.6 -70.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.422 ' CD1' HD12 ' A' ' 15' ' ' LEU . 7.9 mt -66.48 129.64 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -125.54 167.89 14.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.656 HG22 ' HA ' ' A' ' 46' ' ' THR . 74.5 t -68.19 151.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 14.4 m-80 79.06 -1.07 2.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.473 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 22.1 m-20 -66.38 170.57 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 16.8 tt0 -129.28 123.63 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.773 HG21 HD12 ' A' ' 73' ' ' LEU . 27.1 mt -91.71 94.66 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.7 t -74.94 -40.04 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.1 tt0 -146.16 148.31 32.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.615 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -132.9 108.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.59 11.73 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' O ' ' CD ' ' A' ' 67' ' ' GLU . . . 113.15 -12.59 24.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.456 HG21 ' CG2' ' A' ' 84' ' ' VAL . 58.3 mt -85.95 129.81 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.67 122.74 23.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.773 HD12 HG21 ' A' ' 65' ' ' ILE . 13.6 mt -104.56 -6.64 20.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.9 144.14 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.412 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 69.15 31.28 71.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.651 HG21 ' CD1' ' A' ' 80' ' ' PHE . 4.1 m -135.33 156.25 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 80' ' ' PHE . 9.8 t -68.36 138.75 55.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -41.2 -33.34 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.82 -52.23 65.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.651 ' CD1' HG21 ' A' ' 76' ' ' VAL . 8.3 t80 -51.98 -54.76 25.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.512 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -55.8 -40.87 73.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.9 88.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -68.09 -45.22 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.763 HG11 HD21 ' A' ' 73' ' ' LEU . 70.5 t -59.4 -56.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.543 HD11 HG21 ' A' ' 26' ' ' ILE . 22.1 mt -54.1 -22.51 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -87.02 -15.68 37.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 84' ' ' VAL . 4.1 m-80 -91.15 -38.47 12.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 84' ' ' VAL . 44.6 p -39.3 159.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -129.01 178.09 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -15.51 -85.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.78 126.28 30.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.483 ' HB ' ' CE2' ' A' ' 94' ' ' PHE . 34.0 t -127.37 132.96 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.431 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -99.26 104.04 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.615 ' CD1' HG22 ' A' ' 68' ' ' VAL . 98.0 m-85 -99.73 122.39 42.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.9 t -98.03 93.99 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.6 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.4 mm -79.61 151.09 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.596 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -119.95 102.57 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.773 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -103.74 148.19 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' HG3' HD21 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -69.01 125.2 25.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -81.99 157.52 68.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 128.09 11.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.3 m -129.5 75.25 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 118.13 157.91 10.73 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 166.1 29.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.88 130.64 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -111.07 123.72 50.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -105.08 150.5 24.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 0.722 . . . . 0.0 110.034 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -178.62 125.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.11 -73.85 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.59 -60.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.8 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 126.81 4.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.73 69.36 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.784 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -122.62 146.14 47.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -79.37 94.89 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD22 HG21 ' A' ' 66' ' ' VAL . 46.6 mt -94.65 111.01 22.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.84 134.01 24.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.6 Cg_endo -74.93 134.69 18.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' PHE . 26.7 t -126.29 126.36 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -84.52 145.49 28.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.741 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.8 mt -151.1 135.0 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.48 121.64 43.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.445 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 38.9 mttt -56.19 147.43 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.595 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -120.32 174.79 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -39.39 -29.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' ASP . 15.5 t0 -118.05 53.61 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 55.26 -146.35 29.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 92' ' ' VAL . 3.7 mt -66.65 -57.66 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.9 41.5 2.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.788 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -137.73 161.6 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -113.93 155.63 25.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.774 HG21 ' CD1' ' A' ' 85' ' ' LEU . 3.0 pt -128.8 167.8 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.557 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -147.91 140.57 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.73 111.84 4.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.57 1.169 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.4 mmm -130.56 162.55 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.94 114.88 5.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.436 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -96.18 141.0 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.32 53.53 1.3 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -68.28 103.98 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.57 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 16.3 m-20 -90.74 49.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 34' ' ' ASP . . . 75.09 -75.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.69 -24.21 5.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.9 mt -94.55 58.08 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 17.0 pt-20 -97.7 152.09 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -127.83 98.53 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.3 tp -54.05 129.98 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -112.02 123.13 6.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.421 HG13 ' HB2' ' A' ' 81' ' ' ALA . 16.2 mm -85.23 111.73 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.557 ' HB2' HG23 ' A' ' 27' ' ' ILE . 86.2 m-85 -110.99 164.67 12.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.855 HG23 ' OD1' ' A' ' 63' ' ' ASP . 22.0 t -89.4 104.67 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -57.08 -42.7 81.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.598 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.2 t -171.07 177.72 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.706 HG22 HG22 ' A' ' 24' ' ' ILE . 85.6 t -131.18 127.84 61.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -58.2 143.58 43.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.27 99.47 3.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.31 19.28 19.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.28 -174.67 47.86 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.69 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -71.88 -51.47 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.788 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -65.76 -27.26 68.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.79 -64.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -50.28 -44.21 53.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -46.06 -49.35 16.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 84.46 -4.73 83.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -82.66 -65.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.556 ' CD1' HD12 ' A' ' 15' ' ' LEU . 5.6 mt -68.6 129.9 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 9.4 mm-40 -116.47 177.5 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.9 t -83.02 146.21 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.2 m-80 77.73 11.49 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.855 ' OD1' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -73.4 175.93 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 31.3 tt0 -131.17 115.91 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.583 ' CG2' HD12 ' A' ' 73' ' ' LEU . 6.9 mt -85.39 89.96 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.565 HG21 HD22 ' A' ' 10' ' ' LEU . 47.6 t -68.09 -37.08 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 5.7 tt0 -147.41 159.18 43.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.666 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -143.95 117.86 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.65 20.16 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.409 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.26 -28.41 11.02 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 48.1 mt -66.12 140.24 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -93.0 123.22 36.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.805 HD21 HG11 ' A' ' 84' ' ' VAL . 69.7 mt -106.93 34.64 3.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.766 ' O ' HG13 ' A' ' 76' ' ' VAL . 87.2 t -106.28 141.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.5 44.71 59.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.766 HG13 ' O ' ' A' ' 74' ' ' VAL . 5.9 m -133.77 147.95 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.434 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 t -68.25 143.5 55.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.1 OUTLIER -38.31 -47.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -46.31 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.583 ' HE1' HD23 ' A' ' 73' ' ' LEU . 25.7 t80 -37.41 -53.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.21 -58.36 7.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.86 -52.01 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' ASN . 57.8 m -56.34 -51.66 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.805 HG11 HD21 ' A' ' 73' ' ' LEU . 54.8 t -51.87 -55.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.774 ' CD1' HG21 ' A' ' 26' ' ' ILE . 68.1 mt -60.6 -24.24 65.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 1.6 ttt180 -83.6 -27.86 28.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 83' ' ' THR . 1.9 m120 -74.75 -48.4 25.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 84' ' ' VAL . 76.0 p -36.48 151.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.608 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.2 OUTLIER -121.83 -172.77 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -18.03 -81.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -77.73 137.53 38.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.644 HG21 HD21 ' A' ' 22' ' ' LEU . 46.7 t -140.41 131.22 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.417 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -102.69 107.48 18.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.613 ' CD1' HG22 ' A' ' 68' ' ' VAL . 95.0 m-85 -101.27 123.68 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 95' ' ' VAL . 4.3 t -100.14 93.28 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.724 HG23 ' OD2' ' A' ' 63' ' ' ASP . 2.7 mm -80.41 152.08 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.627 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -117.04 105.85 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.784 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -99.5 146.54 26.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.36 116.2 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -73.33 158.31 86.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 128.17 11.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 t -143.0 76.93 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.32 159.12 8.18 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.94 4.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.4 t 62.37 132.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.33 96.38 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.053 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -123.8 171.04 9.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -134.3 166.99 21.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.66 148.89 5.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -169.21 161.09 10.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -115.32 166.52 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.64 -57.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.756 HD23 ' C ' ' A' ' 97' ' ' GLY . 0.2 OUTLIER -115.57 -177.38 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.2 tt0 -104.57 98.07 7.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.9 110.45 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 9.3 p90 -126.48 131.71 24.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 120.56 6.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.6 t -111.72 122.85 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.11 145.48 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.78 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.6 mt -147.07 132.86 18.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -104.68 110.78 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 88' ' ' THR . 51.6 mttt -39.27 154.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.797 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 77.9 m-20 -128.72 175.9 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -41.16 -31.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.263 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.94 47.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 60.47 -141.95 47.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.515 HD21 HG21 ' A' ' 92' ' ' VAL . 4.1 mt -69.69 -57.05 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.36 53.51 1.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.643 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -142.72 153.59 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.364 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.445 ' HB2' HG22 ' A' ' 46' ' ' THR . 1.9 m -111.5 138.54 47.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.634 HG21 HD11 ' A' ' 85' ' ' LEU . 2.4 pt -111.36 -177.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -158.04 142.67 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.13 110.92 4.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.8 mmm -129.89 160.74 32.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.36 114.13 4.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -97.14 139.18 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.19 64.42 0.58 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.56 105.28 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.738 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -90.72 -0.7 57.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 34' ' ' ASP . . . 88.66 40.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -167.01 -53.53 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.75 38.7 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -57.02 136.71 56.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -127.33 97.45 4.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 6.2 tp -56.73 129.88 43.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.45 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -110.42 119.51 5.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.509 HG13 ' HB2' ' A' ' 81' ' ' ALA . 17.2 mm -83.46 111.1 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.1 m-85 -111.25 164.24 13.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 61' ' ' VAL . 40.8 t -88.59 102.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -57.68 -40.98 80.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.736 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.7 t -170.66 170.67 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.584 HG22 HG22 ' A' ' 24' ' ' ILE . 86.3 t -126.53 120.29 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.4 m -49.9 134.97 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -71.7 104.54 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.44 26.33 12.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.07 170.88 32.14 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.797 ' HB2' ' CG ' ' A' ' 18' ' ' ASP . . . -57.85 -55.61 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.36 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.78 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -56.42 -43.31 79.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.3 -57.2 14.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -43.69 -41.48 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.51 -55.41 35.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.35 -20.21 50.51 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.501 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 3.9 mmm180 -64.58 -63.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 0.724 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -68.26 104.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.85 170.44 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.736 HG22 ' HA ' ' A' ' 46' ' ' THR . 60.3 t -70.14 148.96 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.1 m-80 77.11 0.9 3.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 13.2 m-20 -64.99 170.41 4.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 30.0 tt0 -129.57 112.77 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.676 ' CG2' HD12 ' A' ' 73' ' ' LEU . 6.2 mt -81.9 88.11 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.96 -39.37 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 8.7 tt0 -146.27 158.83 43.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.633 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -144.31 117.75 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 53.65 20.5 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.431 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.33 -27.29 14.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.602 HG21 ' CG2' ' A' ' 84' ' ' VAL . 64.6 mt -67.55 136.04 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.776 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.1 122.01 34.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.676 HD12 ' CG2' ' A' ' 65' ' ' ILE . 40.0 mt -105.11 38.01 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.731 ' O ' HG13 ' A' ' 76' ' ' VAL . 68.7 t -109.24 139.64 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 54.54 44.79 78.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.823 HG21 ' CD1' ' A' ' 80' ' ' PHE . 4.6 m -136.77 151.24 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.459 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 8.2 t -68.63 141.75 55.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -39.7 -39.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -58.39 6.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.823 ' CD1' HG21 ' A' ' 76' ' ' VAL . 47.0 t80 -44.96 -55.45 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.509 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.9 -47.25 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.02 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.6 m -62.24 -48.64 79.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.611 HG11 HD21 ' A' ' 73' ' ' LEU . 73.1 t -55.43 -56.56 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.634 HD11 HG21 ' A' ' 26' ' ' ILE . 59.0 mt -52.95 -25.47 12.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -86.24 -22.57 26.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' VAL . 1.9 m-80 -77.81 -40.93 38.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 84' ' ' VAL . 59.4 p -42.9 164.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.611 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -137.12 -169.69 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.17 -82.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -82.88 138.08 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.515 HG21 HD21 ' A' ' 22' ' ' LEU . 23.2 t -142.04 131.94 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 68' ' ' VAL . 23.7 mtm-85 -104.16 118.53 36.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.633 ' CD1' HG22 ' A' ' 68' ' ' VAL . 98.5 m-85 -110.13 117.45 33.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.4 t -95.24 90.83 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.8 mm -80.64 156.31 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.756 ' C ' HD23 ' A' ' 8' ' ' LEU . . . -116.11 112.27 2.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -101.84 143.32 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.39 116.01 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -76.21 157.92 82.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.67 17.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.2 t -159.88 82.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 110.031 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.98 177.44 14.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 178.99 6.53 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.057 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.1 p 179.14 143.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.26 146.87 38.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.979 . . . . . . . . 0 0 . 1 . 018 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 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 p -114.06 172.62 6.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 p -49.78 167.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.04 -141.11 11.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m 64.5 120.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.73 157.86 17.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.13 -69.65 1.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.752 HD13 ' C ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -110.74 152.17 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 109.351 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 5.0 pt-20 -104.95 114.51 28.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.473 HD13 HG11 ' A' ' 66' ' ' VAL . 14.1 mt -96.66 110.16 22.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 3.0 p90 -125.23 133.2 24.63 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 121.77 6.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.509 HG11 HG13 ' A' ' 59' ' ' ILE . 43.3 t -111.38 124.99 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.36 138.58 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.772 HD11 ' HA ' ' A' ' 53' ' ' ALA . 2.8 mt -144.37 137.81 27.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 5.7 mt-10 -106.59 129.25 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 67.1 mttt -59.47 150.14 27.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.5 m-20 -126.0 176.53 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -38.76 -31.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 18' ' ' ASP . 24.4 t0 -117.18 52.93 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 55.12 -145.26 30.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.894 HD21 HG21 ' A' ' 92' ' ' VAL . 2.4 mt -65.24 -57.39 8.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.92 52.73 1.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.738 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -146.82 155.54 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.749 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.3 m -110.26 149.54 30.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.619 HG21 HD11 ' A' ' 85' ' ' LEU . 2.1 pt -127.81 156.75 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.652 HG23 ' HB2' ' A' ' 43' ' ' PHE . 1.1 tt -134.58 141.86 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' C ' ' HG2' ' A' ' 29' ' ' MET . . . -97.06 118.52 6.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.482 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.6 mmm -136.23 148.36 48.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 0.787 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.622 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -89.79 107.14 3.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.6 t -85.72 145.91 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.73 49.7 1.39 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.41 87.97 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.94 38.36 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.9 56.02 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 168.81 -52.78 0.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.148 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -96.04 35.41 1.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.08 96.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -124.24 100.43 6.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.622 HD22 ' HA2' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -60.07 131.07 49.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -113.72 125.03 6.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.475 HG13 ' HB2' ' A' ' 81' ' ' ALA . 15.1 mm -89.77 106.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.652 ' HB2' HG23 ' A' ' 27' ' ' ILE . 89.9 m-85 -106.19 163.57 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 61' ' ' VAL . 16.8 t -87.72 106.4 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -59.59 -42.43 92.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.695 ' HA ' HG22 ' A' ' 61' ' ' VAL . 3.9 t -170.53 171.94 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.442 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.514 HG22 HG22 ' A' ' 24' ' ' ILE . 87.3 t -124.8 119.29 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -50.36 135.4 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.83 97.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.82 11.02 27.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.79 170.75 55.08 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -57.9 -57.16 14.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.772 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -56.86 -35.01 68.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.409 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.2 tm0? -66.22 -60.3 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -48.99 -39.75 27.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -55.19 -54.04 48.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 89.95 -4.02 83.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -79.6 -67.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.625 HD12 ' CD1' ' A' ' 15' ' ' LEU . 35.6 mt -68.29 123.29 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 2.8 mm-40 -110.32 175.04 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' A' ' 46' ' ' THR . 51.3 t -76.09 149.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.1 m-80 77.6 0.14 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 22.6 m-20 -62.28 170.73 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 16.0 tt0 -128.43 112.77 14.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.829 HG22 HD12 ' A' ' 73' ' ' LEU . 19.0 mt -82.66 86.09 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.473 HG11 HD13 ' A' ' 10' ' ' LEU . 60.8 t -64.31 -35.35 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 6.0 tt0 -147.83 156.74 43.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.58 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -143.1 114.45 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 69' ' ' ASP . 14.2 t0 56.22 26.79 10.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.411 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 100.85 -25.17 29.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.559 HG21 ' CG2' ' A' ' 84' ' ' VAL . 87.7 mt -68.72 140.66 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 0.784 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.4 t -94.54 135.05 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.829 HD12 HG22 ' A' ' 65' ' ' ILE . 57.0 mt -117.85 33.65 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 76' ' ' VAL . 95.2 t -107.09 133.8 50.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.16 35.44 91.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 74' ' ' VAL . 11.5 m -130.32 144.14 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' PHE . 6.6 t -68.43 140.57 55.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' THR . 1.3 tt0 -38.64 -42.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -45.93 -46.9 16.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.596 ' HE1' HD23 ' A' ' 73' ' ' LEU . 37.3 t80 -58.43 -56.66 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -52.74 -46.78 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.19 -44.56 68.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -65.19 -50.01 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.559 ' CG2' HG21 ' A' ' 71' ' ' ILE . 32.5 t -55.01 -58.07 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 26' ' ' ILE . 78.1 mt -51.85 -27.33 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -83.72 -24.18 31.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' VAL . 22.0 m-20 -76.55 -42.38 43.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.617 ' HB ' HG22 ' A' ' 92' ' ' VAL . 70.9 p -40.66 161.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.608 ' O ' ' C ' ' A' ' 90' ' ' GLY . 3.0 mmpt? -134.27 -169.39 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.36 -83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -79.38 138.71 37.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.894 HG21 HD21 ' A' ' 22' ' ' LEU . 60.1 t -141.29 121.53 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.31 113.15 25.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 98.1 m-85 -106.46 117.16 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.3 t -95.17 92.36 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' A' ' 94' ' ' PHE . 2.9 mm -80.94 154.51 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.584 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -119.33 102.89 0.94 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.752 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -110.26 136.52 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.67 ' N ' HD13 ' A' ' 8' ' ' LEU . 2.1 pt-20 -80.42 133.77 35.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -128.31 158.46 71.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.93 9.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.0 p -43.46 -41.53 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -128.82 166.43 21.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.89 4.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.5 t -174.65 131.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.2 m -101.5 131.03 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.953 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 111.042 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.17 135.76 33.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -79.79 176.41 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.35 -89.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.12 173.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.032 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.91 133.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.25 77.19 0.25 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -124.7 155.35 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.331 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 2.1 tt0 -89.69 94.86 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.604 HD13 ' HA2' ' A' ' 97' ' ' GLY . 2.0 mm? -94.38 110.82 22.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.5 p90 -132.43 134.06 24.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.03 16.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.804 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' PHE . 21.4 t -123.52 126.14 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.39 138.51 31.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -141.89 138.25 31.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 1.8 mt-10 -108.12 111.44 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 47.7 mttt -42.03 153.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.784 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -123.39 176.59 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.51 -29.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -116.77 47.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 61.85 -148.11 47.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.723 HD21 HG21 ' A' ' 92' ' ' VAL . 7.5 mt -66.84 -57.55 6.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.1 47.97 2.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.585 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 4.3 pt -138.2 155.21 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -112.9 147.25 37.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.592 HG21 HD11 ' A' ' 85' ' ' LEU . 2.5 pt -121.33 172.42 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -150.3 142.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.7 111.23 4.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.8 mmm -133.23 160.08 38.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.25 113.33 3.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.3 t -96.3 139.51 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.21 54.26 1.25 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -62.74 115.94 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.609 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 5.2 m-20 -105.42 48.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 34' ' ' ASP . . . 77.52 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -118.12 -12.79 7.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 37' ' ' LEU . 3.1 mp -96.49 30.14 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 17.4 pt-20 -75.57 156.62 34.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -127.6 97.15 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 29' ' ' MET . 4.1 tp -55.0 113.67 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -91.95 117.05 5.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 73' ' ' LEU . 21.1 mm -82.82 97.12 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.468 ' HB2' HG23 ' A' ' 27' ' ' ILE . 90.8 m-85 -95.55 164.19 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.8 t -90.87 114.74 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -65.38 -43.06 91.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.719 ' HA ' HG22 ' A' ' 61' ' ' VAL . 6.4 t -170.55 179.36 3.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.3 t -130.49 129.89 64.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 m -57.9 137.04 57.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -74.29 107.01 6.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.18 29.58 12.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.46 -154.85 31.4 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.784 ' HB2' ' CG ' ' A' ' 18' ' ' ASP . . . -90.97 -44.34 9.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.585 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -71.19 -37.75 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -64.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -45.37 -45.58 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -49.32 -56.68 8.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 93.43 0.89 66.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.59 -68.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.339 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.7 mt -68.08 126.61 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 6.4 mm-40 -113.38 175.35 5.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' A' ' 46' ' ' THR . 61.7 t -78.07 149.0 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.5 m-80 77.68 -0.41 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.523 ' OD2' HG21 ' A' ' 96' ' ' ILE . 9.7 m-20 -63.3 166.4 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 11.6 tt0 -125.69 122.01 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.792 HG21 HD12 ' A' ' 73' ' ' LEU . 5.8 mt -87.88 91.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.603 HG21 ' CD1' ' A' ' 10' ' ' LEU . 81.0 t -68.89 -37.01 76.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.8 tt0 -151.02 149.42 29.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.68 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -134.02 109.57 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ARG . 1.7 m-20 62.63 12.46 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.74 -12.49 25.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 55.7 mt -86.23 127.25 40.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.753 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.82 118.7 17.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.792 HD12 HG21 ' A' ' 65' ' ' ILE . 17.3 mt -102.99 17.62 23.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -112.84 142.12 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.437 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 70.04 24.9 76.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.891 HG21 ' CD1' ' A' ' 80' ' ' PHE . 3.0 m -126.25 154.12 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 0.729 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 80' ' ' PHE . 10.1 t -67.95 140.25 56.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 77' ' ' THR . 1.3 tm0? -36.71 -45.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.52 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.891 ' CD1' HG21 ' A' ' 76' ' ' VAL . 15.5 t80 -38.55 -53.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.514 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -54.75 -58.53 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.45 -52.37 4.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' ASN . 86.9 m -50.83 -54.23 25.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.68 HG12 HG11 ' A' ' 68' ' ' VAL . 95.7 t -50.68 -60.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.592 HD11 HG21 ' A' ' 26' ' ' ILE . 45.9 mt -55.17 -24.02 24.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 0.4 OUTLIER -85.74 -25.1 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' THR . 1.4 m120 -82.83 -41.05 19.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 84' ' ' VAL . 25.5 p -38.93 159.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.619 ' O ' ' C ' ' A' ' 90' ' ' GLY . 26.1 mtmt -131.34 -174.14 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.38 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -76.95 138.11 39.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.723 HG21 HD21 ' A' ' 22' ' ' LEU . 48.9 t -142.29 123.47 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -95.57 115.16 27.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.592 ' CD1' HG22 ' A' ' 68' ' ' VAL . 99.3 m-85 -109.77 123.23 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 95' ' ' VAL . 3.6 t -99.09 92.69 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.596 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.6 mm -79.55 151.73 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.609 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -116.97 104.7 1.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.793 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -97.86 142.99 28.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.46 ' HG3' HD21 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -69.18 117.32 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -74.47 157.9 85.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 179.75 5.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.11 57.5 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.83 -153.34 6.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 84.87 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.451 1.764 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.9 m -156.7 -58.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 m -76.37 142.79 41.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 110.051 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -97.7 168.69 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 0.82 . . . . 0.0 109.997 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -166.15 151.09 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.28 85.49 0.12 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 t -170.27 132.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.38 145.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.71 -71.34 0.82 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.735 HD13 ' C ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -112.73 163.08 15.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 6.8 pt-20 -111.22 111.76 23.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.26 110.23 22.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 7.1 p90 -124.36 134.53 25.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 122.23 7.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG11 HG13 ' A' ' 59' ' ' ILE . 55.1 t -111.52 123.48 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.55 ' CG ' ' NE ' ' A' ' 93' ' ' ARG . 3.4 mt-10 -85.2 135.18 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.642 HD22 ' HB1' ' A' ' 52' ' ' ALA . 2.9 mt -134.74 144.79 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.5 mt-10 -111.83 105.37 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 41.3 mttt -38.46 156.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' GLY . 24.8 m-20 -123.18 177.54 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -47.5 -23.6 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.71 -24.69 14.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.68 -135.63 9.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.63 HD22 ' HZ ' ' A' ' 94' ' ' PHE . 53.6 mt -57.63 -55.53 33.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 0.794 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' ' 24' ' ' ILE . . . 81.77 50.82 4.79 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.716 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 3.4 pt -153.07 156.86 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -110.09 143.48 40.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.029 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.845 HG21 HD11 ' A' ' 85' ' ' LEU . 1.5 pt -121.66 160.6 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.608 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -138.6 141.75 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.64 114.57 5.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.713 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.3 mmm -133.26 154.86 50.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.603 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -95.27 104.92 3.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -92.42 159.51 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.48 29.39 0.14 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.484 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -69.07 108.7 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.756 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 3.1 m-20 -93.79 -25.06 17.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 34' ' ' ASP . . . 156.52 -44.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.97 -32.24 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.707 ' O ' HD12 ' A' ' 37' ' ' LEU . 3.7 pp -89.17 40.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 15.1 pt-20 -79.32 152.79 30.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -124.84 97.23 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.713 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -51.18 131.55 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.442 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.33 130.17 9.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.513 HG13 ' HB2' ' A' ' 81' ' ' ALA . 12.3 mm -94.86 102.55 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.608 ' HB2' HG23 ' A' ' 27' ' ' ILE . 83.4 m-85 -102.62 164.2 11.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 61' ' ' VAL . 25.2 t -88.78 102.72 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -57.48 -39.4 76.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.61 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.2 t -170.66 179.49 3.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.415 ' N ' ' OG1' ' A' ' 46' ' ' THR . 91.9 t -130.33 125.6 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -59.86 133.01 55.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.86 113.73 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' NH1' ' A' ' 55' ' ' ARG . . . 88.36 29.35 19.75 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.13 -164.42 32.33 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.642 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -79.75 -57.47 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.716 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -59.27 -34.38 72.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.8 -58.64 5.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 50' ' ' GLY . 69.7 mtm-85 -49.15 -49.82 40.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -54.88 -53.41 55.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.06 -30.08 7.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.519 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -46.0 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.426 HG13 HG11 ' A' ' 13' ' ' VAL . 14.6 mt -67.87 129.78 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -122.64 164.25 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.61 HG22 ' HA ' ' A' ' 46' ' ' THR . 96.8 t -66.28 151.27 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 13.9 m-80 78.62 -1.46 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.466 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 18.1 m-20 -64.36 170.86 3.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 35.9 tt0 -128.65 115.69 18.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.705 HG22 HD12 ' A' ' 73' ' ' LEU . 27.2 mt -84.47 91.92 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.55 -38.13 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 6.6 tt0 -144.91 160.15 41.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 84' ' ' VAL . 1.1 t -144.66 117.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.02 20.18 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.59 -28.11 11.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 56.2 mt -66.02 136.3 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -87.02 129.25 34.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.97 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.705 HD12 HG22 ' A' ' 65' ' ' ILE . 55.9 mt -113.62 42.04 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.914 ' O ' HG13 ' A' ' 76' ' ' VAL . 61.9 t -111.79 144.03 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.65 44.46 23.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.914 HG13 ' O ' ' A' ' 74' ' ' VAL . 9.8 m -133.08 143.37 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 78' ' ' GLN . 9.8 t -67.81 140.28 56.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' THR . 3.4 tt0 -37.45 -47.37 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -52.98 4.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -52.25 -60.09 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.513 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -51.85 -48.18 64.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.35 62.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.235 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.5 m -62.18 -46.62 88.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.7 HG12 HG11 ' A' ' 68' ' ' VAL . 69.5 t -57.77 -55.76 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.845 HD11 HG21 ' A' ' 26' ' ' ILE . 48.5 mt -53.62 -23.02 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -87.77 -25.26 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 88' ' ' THR . 13.9 m-20 -80.25 -37.94 31.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.482 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 15.3 p -38.14 157.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.2 OUTLIER -127.23 -166.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.523 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -27.57 -80.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -83.62 140.63 32.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.622 HG21 HD21 ' A' ' 22' ' ' LEU . 40.2 t -141.47 128.82 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.55 ' NE ' ' CG ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -99.94 104.33 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.63 ' HZ ' HD22 ' A' ' 22' ' ' LEU . 95.5 m-85 -97.69 117.7 32.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.1 t -93.87 93.83 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.492 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.4 mm -80.12 155.88 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.02 111.74 1.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.735 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -121.45 152.16 39.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 110.347 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.577 ' N ' HD13 ' A' ' 8' ' ' LEU . 2.5 mt-10 -63.14 141.52 58.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -85.29 156.84 59.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 149.83 37.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.1 p -175.23 79.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.029 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 118.7 -150.97 17.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 152.77 41.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.4 p 179.77 118.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.04 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.5 96.37 7.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.479 HD23 ' HA2' ' A' ' 97' ' ' GLY . 42.1 mt -93.78 110.91 22.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.2 p90 -131.0 135.84 27.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.1 Cg_endo -75.07 134.93 18.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG11 HG13 ' A' ' 59' ' ' ILE . 49.5 t -127.19 119.57 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.22 135.76 35.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.553 ' CD1' HD12 ' A' ' 59' ' ' ILE . 1.8 mt -136.75 133.99 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -101.43 117.57 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 63.7 mttt -53.32 152.08 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.734 ' OD2' ' HB2' ' A' ' 52' ' ' ALA . 5.7 m-20 -129.51 177.12 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 20' ' ' ASP . 0.9 OUTLIER -38.95 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.7 t70 -120.8 51.08 1.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 54.33 -136.07 43.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -77.31 -53.52 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.66 48.49 2.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.749 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -137.77 155.28 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.31 149.17 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.034 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.697 HG21 HD11 ' A' ' 85' ' ' LEU . 2.5 pt -124.75 161.61 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.592 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -135.97 141.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.9 115.22 4.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.82 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.2 mmt -129.85 153.64 48.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.611 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -100.92 103.97 2.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.459 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -121.94 97.04 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -54.0 130.48 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -112.7 119.3 4.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.721 HG13 ' HB2' ' A' ' 81' ' ' ALA . 27.3 mm -84.56 106.97 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.592 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.7 m-85 -107.71 163.08 13.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 61' ' ' VAL . 19.8 t -88.01 108.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -61.3 -44.82 96.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.698 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.1 t -169.04 177.48 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.725 HG22 HG22 ' A' ' 24' ' ' ILE . 98.6 t -130.26 128.47 64.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -56.95 132.32 52.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.68 95.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.89 29.48 5.81 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.2 -179.17 41.37 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.734 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . . . -67.35 -42.98 82.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.749 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -72.46 -33.44 67.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.78 -64.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -42.27 -45.96 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -52.75 -56.69 13.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.99 -31.2 8.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.509 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.45 -69.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.791 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.553 HD12 ' CD1' ' A' ' 15' ' ' LEU . 90.2 mt -66.37 127.43 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.34 174.45 6.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.698 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.1 t -74.45 150.27 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.3 m-80 76.66 0.94 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 9.2 m-20 -62.79 164.21 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 30.0 tt0 -124.77 110.8 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.595 ' CG2' HG23 ' A' ' 68' ' ' VAL . 8.0 mt -82.13 86.96 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.456 HG21 HD22 ' A' ' 10' ' ' LEU . 51.3 t -63.74 -39.85 86.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.5 tt0 -143.0 158.74 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.647 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -144.15 118.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.537 ' OD2' HG13 ' A' ' 92' ' ' VAL . 2.8 m-20 52.46 21.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.413 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.51 -26.62 17.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.583 HG21 ' CG2' ' A' ' 84' ' ' VAL . 41.6 mt -67.18 136.11 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.73 128.62 36.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.996 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.526 HD23 ' HE1' ' A' ' 80' ' ' PHE . 34.1 mt -112.86 36.95 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.693 ' O ' HG13 ' A' ' 76' ' ' VAL . 91.4 t -106.25 138.59 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 55.15 39.78 71.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.693 HG13 ' O ' ' A' ' 74' ' ' VAL . 12.4 m -130.52 143.5 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.469 HG23 ' HB2' ' A' ' 79' ' ' ASN . 6.0 t -67.68 144.2 55.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 77' ' ' THR . 22.5 tt0 -37.7 -49.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.469 ' HB2' HG23 ' A' ' 77' ' ' THR . 95.3 m-20 -40.49 -57.67 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.618 ' CD1' HG21 ' A' ' 76' ' ' VAL . 50.4 t80 -49.88 -57.33 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.721 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.57 -45.58 73.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.93 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.5 m -61.74 -46.79 88.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.593 HG12 HG11 ' A' ' 68' ' ' VAL . 34.2 t -58.04 -58.24 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.697 HD11 HG21 ' A' ' 26' ' ' ILE . 51.4 mt -52.13 -22.17 3.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -22.72 22.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' VAL . 4.5 m-80 -84.04 -32.45 24.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.575 ' HB ' HG21 ' A' ' 92' ' ' VAL . 12.2 p -38.73 158.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.559 ' O ' ' C ' ' A' ' 90' ' ' GLY . 33.1 mtmt -128.75 -173.61 3.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -22.5 -84.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.19 134.69 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.575 HG21 ' HB ' ' A' ' 88' ' ' THR . 17.8 t -132.05 138.36 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.14 106.01 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.647 ' CD1' HG22 ' A' ' 68' ' ' VAL . 97.7 m-85 -100.35 121.93 42.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.4 t -99.81 93.88 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.591 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.4 mm -79.82 156.48 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.479 ' HA2' HD23 ' A' ' 10' ' ' LEU . . . -122.73 105.86 0.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -101.58 149.04 24.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.3 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.532 HD23 ' HA2' ' A' ' 97' ' ' GLY . 51.8 mt -94.5 111.21 22.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.06 134.26 25.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.96 17.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' PHE . 37.4 t -125.97 122.14 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -86.34 137.39 32.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 53' ' ' ALA . 3.3 mt -139.85 135.92 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.9 mt-10 -105.9 105.92 16.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 89' ' ' LYS . 41.7 mttt -39.12 158.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.703 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -128.1 176.43 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' ASP . 8.6 t70 -119.57 51.21 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 57.93 -146.44 39.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.72 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -70.28 -56.37 6.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.54 43.93 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.825 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -136.45 154.69 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 0.764 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.3 m -111.55 146.85 36.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.683 HG21 HD11 ' A' ' 85' ' ' LEU . 2.6 pt -120.37 177.95 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.568 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -154.67 143.75 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.93 114.47 5.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.7 mmm -132.11 160.73 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.79 114.73 5.04 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.427 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.4 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -127.5 96.89 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.8 tp -53.22 125.8 18.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -107.32 122.08 6.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.462 HG13 ' HB2' ' A' ' 81' ' ' ALA . 16.0 mm -83.64 115.09 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.568 ' HB2' HG23 ' A' ' 27' ' ' ILE . 91.9 m-85 -114.57 164.08 14.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.849 HG23 ' OD1' ' A' ' 63' ' ' ASP . 14.6 t -89.31 104.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -56.1 -46.29 79.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.603 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.2 t -170.25 171.78 6.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 110.348 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.813 HG22 HG22 ' A' ' 24' ' ' ILE . 76.5 t -123.29 121.89 63.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -51.26 142.71 12.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -69.94 103.01 2.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.79 14.97 47.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.93 177.17 31.85 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -68.96 -37.57 78.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.825 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -78.28 -24.23 46.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.52 -61.74 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NH2' ' OD2' ' A' ' 18' ' ' ASP . 25.2 mtm105 -52.79 -39.08 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -47.98 -54.4 13.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.458 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 89.15 -5.73 84.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.48 -67.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 15' ' ' LEU . 6.8 mt -67.93 129.01 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.462 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 10.4 mm-40 -115.51 177.82 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.603 HG22 ' HA ' ' A' ' 46' ' ' THR . 61.6 t -83.17 146.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.2 m-80 77.46 10.4 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.849 ' OD1' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -71.06 175.51 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.415 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 15.9 tt0 -131.11 113.34 13.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.521 ' CG2' HG23 ' A' ' 68' ' ' VAL . 9.4 mt -84.13 87.27 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.453 HG21 HD22 ' A' ' 10' ' ' LEU . 47.8 t -65.43 -39.57 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 9.4 tt0 -144.2 157.68 44.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.634 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.07 118.47 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 52.31 21.87 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.409 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.32 -27.56 15.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.582 HD12 HG13 ' A' ' 84' ' ' VAL . 70.3 mt -66.06 136.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.1 t -91.54 115.16 27.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.613 HD21 HG11 ' A' ' 84' ' ' VAL . 38.0 mt -98.63 35.88 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.899 ' O ' HG13 ' A' ' 76' ' ' VAL . 94.3 t -102.86 143.15 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.23 45.8 27.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 74' ' ' VAL . 5.8 m -132.31 148.37 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.804 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.466 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 t -68.72 142.5 54.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 77' ' ' THR . 23.3 tt0 -36.69 -48.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -44.4 -66.19 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.723 ' CD2' HG21 ' A' ' 76' ' ' VAL . 70.1 t80 -36.1 -57.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -55.9 -48.14 76.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' ASN . . . -52.38 -43.43 64.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 42.8 m -64.59 -52.01 59.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.613 HG11 HD21 ' A' ' 73' ' ' LEU . 91.5 t -51.75 -55.53 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.683 HD11 HG21 ' A' ' 26' ' ' ILE . 78.8 mt -53.56 -28.25 30.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -84.87 -21.69 29.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 88' ' ' THR . 5.8 m-80 -78.69 -48.15 15.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.617 ' HB ' HG22 ' A' ' 92' ' ' VAL . 15.9 p -39.83 160.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.625 ' O ' ' C ' ' A' ' 90' ' ' GLY . 13.7 mtmt -129.8 -174.9 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.625 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -15.09 -82.42 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -76.16 136.37 39.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.787 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 61.3 t -140.65 129.5 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 104.6 15.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.787 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 98.5 m-85 -101.14 121.21 41.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -99.34 92.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.686 HG23 ' OD2' ' A' ' 63' ' ' ASP . 2.9 mm -80.14 154.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.532 ' HA2' HD23 ' A' ' 10' ' ' LEU . . . -119.67 106.28 1.21 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -100.06 146.61 26.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.293 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 7.4 pt-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.9 OUTLIER -96.57 111.04 23.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 5.3 p90 -126.43 135.4 27.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.4 Cg_endo -75.01 131.85 14.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' PHE . 46.7 t -123.67 118.24 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.31 128.99 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 15' ' ' LEU . 1.8 mt -128.31 127.52 42.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -94.37 98.63 11.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 90' ' ' GLY . 2.5 mtpt -39.05 155.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.658 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -120.72 175.95 5.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -48.44 -22.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.71 -24.69 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 125.21 -135.45 9.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.804 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 13.9 mt -74.09 -53.18 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.07 53.15 3.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.749 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -149.69 163.55 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.6 m -116.35 148.55 40.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.598 HG21 HD11 ' A' ' 85' ' ' LEU . 1.3 pt -126.25 159.34 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -138.13 141.25 38.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.65 117.32 5.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.722 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.3 mmm -133.83 155.37 49.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.601 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -96.02 107.23 3.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HD2' HG12 ' A' ' 74' ' ' VAL . 1.6 mmtt -126.71 96.88 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -50.57 129.85 23.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.09 130.08 9.42 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.587 HG13 ' HB2' ' A' ' 81' ' ' ALA . 15.7 mm -93.26 96.86 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.474 ' HB2' HG23 ' A' ' 27' ' ' ILE . 89.7 m-85 -98.67 163.77 12.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.523 HG21 ' OD2' ' A' ' 63' ' ' ASP . 30.7 t -92.8 114.41 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -67.77 -39.51 84.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.711 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.6 t -170.45 173.02 5.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 24' ' ' ILE . 78.4 t -124.11 124.23 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -50.79 149.65 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -79.07 108.79 12.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.06 8.82 68.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.87 -172.72 6.65 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -73.43 -59.33 2.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.749 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -56.4 -28.27 58.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.34 -63.37 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -48.28 -41.09 27.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -56.71 -56.95 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.53 -29.02 10.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.51 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.4 -70.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.412 HG23 ' OD2' ' A' ' 63' ' ' ASP . 11.3 mt -67.35 133.4 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -129.64 149.06 51.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.711 HG22 ' HA ' ' A' ' 46' ' ' THR . 96.2 t -40.43 149.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 8.0 m-80 76.51 1.04 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.972 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -63.44 144.03 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 27.0 tt0 -110.4 108.67 18.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.637 ' CG2' HG23 ' A' ' 68' ' ' VAL . 22.9 mt -80.54 85.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.19 -38.62 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.3 tt0 -143.5 157.29 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.652 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.72 118.76 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 51.97 20.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.407 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.92 -27.84 12.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.546 HD12 HG13 ' A' ' 84' ' ' VAL . 63.7 mt -66.37 136.09 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -91.84 129.07 37.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.618 HD23 ' HE1' ' A' ' 80' ' ' PHE . 51.0 mt -112.91 39.9 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.659 ' O ' HG13 ' A' ' 76' ' ' VAL . 99.4 t -111.05 138.0 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.24 38.87 88.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 74' ' ' VAL . 10.5 m -132.83 146.98 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' GLN . 6.0 t -67.77 140.43 56.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' THR . 2.1 tt0 -37.5 -46.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -43.55 -54.71 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.63 ' CD1' HG21 ' A' ' 76' ' ' VAL . 49.1 t80 -50.14 -57.11 8.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.587 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.33 -49.38 69.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.17 56.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.3 m -62.66 -51.52 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.448 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 88' ' ' THR . 72.7 t -52.77 -55.04 13.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.598 HD11 HG21 ' A' ' 26' ' ' ILE . 53.6 mt -53.98 -25.54 21.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -87.59 -19.96 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -80.72 -38.55 28.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 84' ' ' VAL . 80.3 p -42.18 164.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.554 ' O ' ' C ' ' A' ' 90' ' ' GLY . 3.0 mtmp? -132.81 -168.32 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -23.58 -82.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.58 135.83 34.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 0.728 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 18.9 t -135.91 139.92 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 107.79 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CD1' HG22 ' A' ' 68' ' ' VAL . 97.8 m-85 -102.07 122.48 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.4 t -99.27 94.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.972 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.9 mm -79.52 153.22 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -124.57 105.1 0.84 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -115.31 156.8 24.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.98 110.48 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 25.1 p90 -131.22 136.82 29.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.2 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 59' ' ' ILE . 42.4 t -116.0 118.11 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.87 139.41 34.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.632 ' CD1' HD12 ' A' ' 59' ' ' ILE . 6.5 mt -141.99 143.2 33.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.76 108.27 17.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.447 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 26.9 mttt -40.06 156.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.006 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -123.44 176.73 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -50.3 -20.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -106.2 -22.86 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 125.18 -139.76 11.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.654 HD21 HG21 ' A' ' 92' ' ' VAL . 23.8 mt -69.31 -54.93 12.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.96 47.04 5.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.591 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 10.2 pt -138.54 152.28 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 0.8 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.15 143.6 42.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.505 HG21 HD11 ' A' ' 85' ' ' LEU . 1.7 pt -120.31 175.73 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.526 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -153.13 137.63 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.78 112.19 4.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.449 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.9 mmm -133.29 160.83 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -106.1 111.69 3.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.405 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.6 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.74 97.01 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 76' ' ' VAL . 6.1 tp -51.29 124.13 11.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -105.63 118.85 5.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 81' ' ' ALA . 20.5 mm -83.54 101.74 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.526 ' HB2' HG23 ' A' ' 27' ' ' ILE . 91.1 m-85 -100.22 162.22 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' ASP . 13.0 t -90.71 102.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -54.34 -44.23 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.72 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.2 t -170.83 177.84 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 110.401 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.419 ' N ' ' OG1' ' A' ' 46' ' ' THR . 74.8 t -125.91 129.5 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -58.0 134.01 56.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -70.75 106.07 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.55 29.07 10.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.72 -170.08 35.59 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 1.006 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -72.3 -52.92 14.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.591 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -61.76 -40.0 93.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -61.6 -68.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -43.22 -47.67 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -49.52 -56.59 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 91.35 8.93 63.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' HG3' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -91.07 -67.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 0.788 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 94' ' ' PHE . 13.7 mt -68.79 118.81 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 22.2 mm-40 -104.84 174.83 5.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.72 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.1 t -76.81 150.94 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 7.9 m-80 75.75 1.46 3.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 96' ' ' ILE . 19.3 m-20 -65.0 152.41 43.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -112.94 111.22 21.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.536 ' CG2' HD12 ' A' ' 73' ' ' LEU . 23.9 mt -78.66 91.3 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.6 t -68.6 -38.67 79.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 10.4 tt0 -145.77 156.82 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.627 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -141.95 116.75 5.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 53.35 20.39 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.413 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.75 -29.23 9.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.599 HD12 HG13 ' A' ' 84' ' ' VAL . 61.3 mt -66.13 137.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.08 125.05 36.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.662 HD23 ' HE1' ' A' ' 80' ' ' PHE . 66.7 mt -108.55 39.96 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.843 ' O ' HG13 ' A' ' 76' ' ' VAL . 90.7 t -110.41 142.04 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.36 46.16 44.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.843 HG13 ' O ' ' A' ' 74' ' ' VAL . 4.4 m -135.17 151.54 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 80' ' ' PHE . 7.0 t -68.59 140.46 55.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -39.12 -41.12 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.26 -58.43 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.729 ' CD1' HG21 ' A' ' 76' ' ' VAL . 51.9 t80 -42.76 -56.64 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.52 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -54.09 -48.8 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.18 -44.08 64.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.3 m -63.02 -52.96 60.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 88' ' ' THR . 72.3 t -52.66 -54.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.505 HD11 HG21 ' A' ' 26' ' ' ILE . 38.2 mt -55.48 -23.65 27.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 mtp85 -89.92 -20.21 23.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' THR . 3.4 m-80 -79.16 -41.33 28.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 84' ' ' VAL . 68.7 p -44.12 168.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.424 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.633 ' O ' ' C ' ' A' ' 90' ' ' GLY . 15.5 mtmt -138.66 -171.14 3.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.633 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -14.5 -84.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.27 139.41 35.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.654 HG21 HD21 ' A' ' 22' ' ' LEU . 44.3 t -141.55 128.16 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -99.88 109.69 22.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.649 ' HB2' HD11 ' A' ' 59' ' ' ILE . 98.5 m-85 -104.08 120.37 40.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 95' ' ' VAL . 3.2 t -96.51 95.5 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.8 mm -82.59 157.63 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.56 103.87 1.0 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -95.46 153.88 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.4 tt0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.603 HD22 ' N ' ' A' ' 10' ' ' LEU . 1.2 mm? -92.9 111.53 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.2 p90 -133.2 134.71 24.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.2 Cg_endo -74.97 135.93 19.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG11 HG13 ' A' ' 59' ' ' ILE . 46.6 t -128.28 119.98 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.54 133.61 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.532 ' CD1' HD12 ' A' ' 59' ' ' ILE . 1.7 mt -134.29 134.86 42.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.48 122.77 44.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 57.3 mttt -60.99 150.96 31.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.872 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -125.34 175.44 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.29 -28.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.0 t70 -118.04 51.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 56.01 -142.94 37.81 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 92' ' ' VAL . 1.9 mt -71.14 -57.09 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.6 50.36 1.69 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.765 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -142.98 157.96 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 m -110.13 153.97 23.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.491 HG21 HD11 ' A' ' 85' ' ' LEU . 2.1 pt -132.67 155.93 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.583 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -133.77 141.19 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.83 117.38 5.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.74 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.1 mmm -133.71 155.26 50.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.59 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -97.26 104.0 2.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.42 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -126.91 96.9 4.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -47.66 131.57 14.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.42 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -115.35 121.26 5.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.404 HG13 ' HB2' ' A' ' 81' ' ' ALA . 13.4 mm -85.91 104.46 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.797 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.583 ' HB2' HG23 ' A' ' 27' ' ' ILE . 90.0 m-85 -104.77 163.84 12.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.7 t -88.09 110.04 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -63.51 -41.58 98.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.607 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.5 t -170.14 177.83 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 24' ' ' ILE . 79.9 t -131.63 122.57 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -54.28 133.83 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.36 95.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.55 16.09 12.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.25 173.66 54.38 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.872 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -62.82 -45.66 91.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.765 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -66.48 -34.09 77.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.48 -59.76 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -46.76 -48.74 20.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -53.17 -51.81 60.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.59 -32.39 5.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -48.13 -67.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.55 HG13 HG11 ' A' ' 13' ' ' VAL . 70.2 mt -67.29 130.25 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -123.5 168.04 13.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.607 HG22 ' HA ' ' A' ' 46' ' ' THR . 82.8 t -69.97 152.35 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.6 m-80 77.34 -0.6 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 26.5 m-20 -65.18 169.3 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 37.2 tt0 -129.3 112.29 13.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.515 ' CG2' HD12 ' A' ' 73' ' ' LEU . 8.5 mt -80.93 89.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.519 HG21 HD12 ' A' ' 10' ' ' LEU . 57.0 t -66.67 -38.68 82.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.4 tt0 -145.66 158.59 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.83 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -143.3 118.66 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 52.05 21.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.407 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.71 -27.89 12.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.557 HG21 ' CG2' ' A' ' 84' ' ' VAL . 62.6 mt -65.7 136.71 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 t -92.12 121.33 33.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.66 HD23 ' HE2' ' A' ' 80' ' ' PHE . 78.7 mt -104.7 37.47 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 76' ' ' VAL . 94.0 t -107.3 140.04 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 54.2 42.42 72.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 74' ' ' VAL . 10.2 m -135.73 144.21 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 78' ' ' GLN . 6.0 t -67.92 142.83 55.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.392 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -36.82 -48.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -41.48 -62.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.725 ' CD2' HG21 ' A' ' 76' ' ' VAL . 51.4 t80 -43.49 -52.75 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -55.06 -55.91 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -41.71 -49.84 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.516 HG22 ' ND2' ' A' ' 87' ' ' ASN . 52.9 m -55.79 -52.78 62.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.83 HG12 HG11 ' A' ' 68' ' ' VAL . 90.4 t -52.09 -53.76 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 26' ' ' ILE . 24.4 mt -61.62 -20.66 63.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 3.9 ttt180 -87.99 -26.73 22.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.516 ' ND2' HG22 ' A' ' 83' ' ' THR . 19.7 m-80 -81.16 -38.2 27.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.471 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 2.2 p -37.18 155.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.599 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.4 mptt -126.37 -175.48 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.12 -80.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -82.36 141.31 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 0.806 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.572 HG21 HD21 ' A' ' 22' ' ' LEU . 44.5 t -141.63 131.13 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.46 105.42 16.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.624 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 95.6 m-85 -99.91 122.24 42.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.7 t -100.04 93.37 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.598 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.6 mm -79.91 157.77 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -123.5 103.96 0.82 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -101.88 154.36 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.1 tt0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -93.5 110.76 22.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.3 p90 -131.58 133.7 24.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.86 15.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' PHE . 24.1 t -122.19 117.6 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -81.74 119.79 24.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.572 ' CD1' HD12 ' A' ' 59' ' ' ILE . 4.0 mt -119.97 137.93 53.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -105.37 108.48 20.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 31.5 mttt -38.85 156.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.812 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 14.4 m-20 -124.07 176.22 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -48.47 -22.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.8 -24.01 13.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.93 -131.77 8.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.7 HD22 ' HZ ' ' A' ' 94' ' ' PHE . 17.0 mt -69.05 -53.68 19.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.07 48.44 6.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.434 1.084 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.605 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 5.7 pt -145.35 157.99 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.41 150.94 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.618 HG21 HD11 ' A' ' 85' ' ' LEU . 1.8 pt -128.54 167.92 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -145.55 142.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.56 113.88 4.74 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.2 mmm -132.51 161.95 32.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.82 108.62 2.78 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.557 1.161 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.469 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.2 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -127.62 97.01 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.4 tp -52.11 122.94 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -105.12 118.92 6.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.473 HG13 ' HB2' ' A' ' 81' ' ' ALA . 17.5 mm -83.01 109.45 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.484 ' HB2' HG23 ' A' ' 27' ' ' ILE . 94.3 m-85 -108.33 163.53 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 61' ' ' VAL . 12.5 t -88.49 109.19 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -62.09 -41.95 98.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.713 ' HA ' HG22 ' A' ' 61' ' ' VAL . 3.2 t -169.99 178.6 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.438 ' N ' ' OG1' ' A' ' 46' ' ' THR . 95.9 t -128.39 127.31 67.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -57.3 134.95 56.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.427 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -74.69 99.85 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.06 41.47 2.61 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.2 -164.4 20.26 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.812 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -81.35 -51.44 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.234 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.605 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -61.63 -42.9 99.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -61.17 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtm-85 -45.35 -50.81 11.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.37 -51.48 54.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.37 9.07 70.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.457 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -85.65 -66.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.572 HD12 ' CD1' ' A' ' 15' ' ' LEU . 22.1 mt -68.49 119.81 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 6.4 mm-40 -106.7 174.95 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.5 t -78.87 148.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.5 m-80 77.03 0.83 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.437 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 18.5 m-20 -63.88 172.24 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 34.0 tt0 -129.41 116.35 18.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.677 ' CG2' HD12 ' A' ' 73' ' ' LEU . 44.6 mt -84.02 91.43 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.88 -45.21 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 2.5 tt0 -141.06 158.84 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.648 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.66 119.11 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.493 ' OD2' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER 53.81 19.7 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.412 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.11 -26.77 14.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.51 ' CD1' HG13 ' A' ' 84' ' ' VAL . 81.2 mt -66.71 147.45 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t -100.24 124.63 45.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.715 HD23 ' HE2' ' A' ' 80' ' ' PHE . 81.9 mt -107.16 36.68 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 76' ' ' VAL . 95.1 t -107.97 140.6 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.1 42.84 62.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 74' ' ' VAL . 12.8 m -132.43 148.41 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 4.8 t -68.72 142.89 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' THR . 7.9 tt0 -38.74 -45.98 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.504 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 88.4 m-20 -44.23 -62.01 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.715 ' HE2' HD23 ' A' ' 73' ' ' LEU . 78.7 t80 -42.22 -58.49 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.498 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -50.53 -41.64 54.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 79' ' ' ASN . . . -61.59 -39.86 92.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -68.29 -52.42 33.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.589 HG12 HG11 ' A' ' 68' ' ' VAL . 81.9 t -52.65 -54.85 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.618 HD11 HG21 ' A' ' 26' ' ' ILE . 70.3 mt -54.96 -26.88 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -85.45 -21.57 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -77.13 -41.83 40.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 84' ' ' VAL . 70.7 p -42.35 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.62 ' O ' ' C ' ' A' ' 90' ' ' GLY . 52.2 mmtt -137.67 -168.22 2.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.14 -85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.03 140.22 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.55 HG21 HD21 ' A' ' 22' ' ' LEU . 21.3 t -138.35 136.47 44.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.94 109.43 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.7 ' HZ ' HD22 ' A' ' 22' ' ' LEU . 99.4 m-85 -104.42 122.91 46.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 95' ' ' VAL . 5.5 t -100.78 93.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.595 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 mm -80.06 155.19 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.49 107.69 1.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -101.23 146.27 27.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 110.314 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 98' ' ' ARG . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.475 HD12 HG21 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -93.87 111.01 22.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.087 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 14.2 p90 -131.26 131.97 23.38 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.407 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -75.03 125.21 9.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.569 1.826 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' PHE . 24.8 t -116.86 120.16 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.29 139.49 35.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.651 HD11 ' HA ' ' A' ' 53' ' ' ALA . 7.0 mt -141.4 138.25 32.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -104.19 110.46 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 27.1 mttt -40.39 155.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.883 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -122.33 176.44 5.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -49.65 -21.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -103.95 -23.02 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.3 -137.76 11.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.855 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 45.5 mt -62.48 -51.5 67.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 0.806 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 24' ' ' ILE . . . 80.71 55.18 3.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.79 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.2 pt -155.06 160.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 m -116.09 144.58 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.648 HG21 HD11 ' A' ' 85' ' ' LEU . 1.5 pt -123.01 163.16 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.669 HG23 ' HB2' ' A' ' 43' ' ' PHE . 4.9 tt -141.3 143.89 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.86 112.81 4.54 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.448 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -132.4 140.38 48.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.974 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.666 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -84.86 111.23 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.407 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -126.83 97.04 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.666 HD22 ' HA2' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -48.65 131.69 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.407 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.14 120.26 5.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.535 HG13 ' HB2' ' A' ' 81' ' ' ALA . 18.4 mm -84.07 104.7 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.669 ' HB2' HG23 ' A' ' 27' ' ' ILE . 94.0 m-85 -103.27 163.29 12.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 61' ' ' VAL . 28.5 t -91.2 106.1 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -61.6 -41.38 97.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.773 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.6 t -170.57 170.24 6.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.553 HG22 HG22 ' A' ' 24' ' ' ILE . 73.8 t -122.47 121.3 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.48 142.06 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.77 115.57 14.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.08 29.24 51.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.25 -155.5 31.21 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.883 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -86.31 -61.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.79 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -59.85 -25.11 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.41 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.3 tm0? -69.63 -60.86 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -49.07 -50.64 35.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.452 ' HB2' HD21 ' A' ' 15' ' ' LEU . 25.8 t0 -49.88 -56.52 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.33 -22.39 41.05 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.508 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 4.5 mmm180 -59.74 -65.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.648 HD12 ' CD1' ' A' ' 15' ' ' LEU . 33.5 mt -68.44 101.29 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.458 ' N ' ' OD2' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -98.41 171.94 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.773 HG22 ' HA ' ' A' ' 46' ' ' THR . 54.5 t -69.36 148.9 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.3 m-80 76.75 0.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 60' ' ' GLN . 12.0 m-20 -65.82 148.95 50.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 45.3 tt0 -110.76 113.26 25.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.545 ' CG2' HD12 ' A' ' 73' ' ' LEU . 9.2 mt -80.87 92.38 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.475 HG21 HD12 ' A' ' 10' ' ' LEU . 43.8 t -68.91 -38.69 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 5.7 tt0 -145.89 158.77 43.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.607 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.58 117.79 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.69 21.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.428 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.96 -27.97 12.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.465 HD12 HG13 ' A' ' 84' ' ' VAL . 70.9 mt -65.94 137.73 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.1 t -91.47 126.26 36.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.657 HD23 ' HE2' ' A' ' 80' ' ' PHE . 79.9 mt -110.93 39.36 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 76' ' ' VAL . 76.6 t -111.94 134.87 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.34 37.66 94.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.713 HG21 ' CD2' ' A' ' 80' ' ' PHE . 10.6 m -130.62 145.4 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' GLN . 8.0 t -68.14 141.15 56.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.401 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -35.95 -48.25 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -42.21 -59.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.713 ' CD2' HG21 ' A' ' 76' ' ' VAL . 66.4 t80 -46.23 -56.98 4.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -53.14 -48.03 68.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.81 -44.53 66.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -64.68 -49.02 72.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.574 HG12 HG11 ' A' ' 68' ' ' VAL . 73.9 t -54.82 -54.75 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 26' ' ' ILE . 76.4 mt -54.14 -27.04 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -83.83 -23.33 31.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 88' ' ' THR . 5.5 m-80 -75.11 -45.75 39.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.545 ' HB ' HG22 ' A' ' 92' ' ' VAL . 69.0 p -39.77 160.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 90' ' ' GLY . 10.0 mmtp -132.48 -170.77 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.13 -82.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -81.93 137.74 35.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.566 HG21 HD21 ' A' ' 22' ' ' LEU . 38.6 t -139.27 132.3 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.407 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -102.79 104.71 15.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.627 ' HZ ' HD22 ' A' ' 22' ' ' LEU . 94.3 m-85 -98.1 121.18 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.1 t -98.85 92.81 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.1 mm -81.66 156.38 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 9' ' ' GLU . . . -116.39 102.49 1.06 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.554 ' HD2' ' CE1' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -91.54 150.89 20.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.763 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 66' ' ' VAL . 42.9 mt -93.47 111.24 22.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 23.4 p90 -132.92 132.43 22.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.82 12.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.752 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 94' ' ' PHE . 31.4 t -119.2 123.25 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -81.74 136.27 35.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.7 mt -136.28 132.18 35.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.95 98.3 9.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.76 ' HG2' HD23 ' A' ' 22' ' ' LEU . 1.4 mtpt -40.65 159.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' GLY . 12.8 m-20 -122.18 176.44 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -49.18 -22.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 15.7 t0 -100.19 -25.17 14.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 126.46 -141.3 12.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.76 HD23 ' HG2' ' A' ' 17' ' ' LYS . 29.8 mt -63.07 -53.78 48.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.02 43.17 6.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.748 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.3 pt -143.85 165.0 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -119.69 145.58 46.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.983 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.582 HG21 HD11 ' A' ' 85' ' ' LEU . 2.1 pt -118.36 179.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.56 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -155.69 139.18 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.23 109.39 3.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.474 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.6 mmm -129.82 160.85 32.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.0 111.88 3.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 39' ' ' LYS . 1.4 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.7 mmtm -127.5 110.1 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -70.53 116.1 10.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.5 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -96.55 121.71 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.8 111.09 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.56 ' HB2' HG23 ' A' ' 27' ' ' ILE . 77.0 m-85 -109.02 164.79 12.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.894 HG23 ' OD1' ' A' ' 63' ' ' ASP . 44.2 t -88.42 106.15 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -58.32 -42.2 86.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.58 ' HA ' HG22 ' A' ' 61' ' ' VAL . 6.7 t -170.83 176.44 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.534 HG23 HG22 ' A' ' 61' ' ' VAL . 88.2 t -129.38 123.75 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -59.58 134.77 57.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.97 108.28 5.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.67 14.93 35.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.24 -165.17 37.41 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -81.3 -57.53 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.748 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -56.98 -33.95 67.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -64.81 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -41.02 -46.64 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -60.42 -49.02 79.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 90.07 -36.77 3.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -38.38 -67.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.276 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.8 mt -67.43 136.12 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 10.3 mm-40 -120.35 177.08 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.352 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.0 t -84.96 147.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 12.8 m-80 78.29 2.7 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.894 ' OD1' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -64.99 179.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.46 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 13.3 tt0 -131.71 113.98 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.67 ' CG2' HD12 ' A' ' 73' ' ' LEU . 10.6 mt -85.14 86.71 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.568 HG13 HG21 ' A' ' 74' ' ' VAL . 53.2 t -63.85 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 2.5 tt0 -145.68 159.5 43.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.36 113.29 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 93' ' ' ARG . 12.2 t0 57.43 26.58 12.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 102.58 -27.35 20.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.653 HG21 HG21 ' A' ' 84' ' ' VAL . 97.6 mt -65.91 141.52 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -96.91 121.98 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.67 HD12 ' CG2' ' A' ' 65' ' ' ILE . 14.8 mt -105.53 26.66 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.568 HG21 HG13 ' A' ' 66' ' ' VAL . 71.0 t -104.22 132.72 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.41 33.08 83.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.567 HG21 ' CD1' ' A' ' 80' ' ' PHE . 6.0 m -129.29 150.65 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 80' ' ' PHE . 10.2 t -68.51 140.62 55.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -40.83 -35.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.5 -54.27 45.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.567 ' CD1' HG21 ' A' ' 76' ' ' VAL . 22.7 t80 -48.36 -55.08 11.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.67 -47.26 73.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.94 77.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.9 m -61.87 -48.56 79.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.653 HG21 HG21 ' A' ' 71' ' ' ILE . 39.6 t -56.35 -57.61 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 26' ' ' ILE . 57.2 mt -51.63 -25.39 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -86.0 -23.47 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' VAL . 6.2 m-80 -80.62 -35.81 33.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 84' ' ' VAL . 44.0 p -43.59 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 90' ' ' GLY . 2.0 mmpt? -134.19 -169.38 2.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -23.95 -82.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.16 137.67 35.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.528 HG21 HD21 ' A' ' 22' ' ' LEU . 22.8 t -141.02 132.46 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -100.15 124.84 46.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.658 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 80.3 m-85 -114.78 121.04 42.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 95' ' ' VAL . 4.8 t -96.46 91.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.693 HG23 ' OD2' ' A' ' 63' ' ' ASP . 2.3 mm -80.28 154.25 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.97 108.43 1.46 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.98 148.56 26.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.7 tt0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.616 HD22 ' N ' ' A' ' 10' ' ' LEU . 1.1 mm? -93.86 111.29 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.604 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 21.6 p90 -133.95 134.21 22.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.2 Cg_endo -74.99 131.38 14.24 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.423 1.749 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' PHE . 21.8 t -121.45 128.49 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.472 ' CG ' ' NE ' ' A' ' 93' ' ' ARG . 6.9 mt-10 -86.44 145.53 26.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 15' ' ' LEU . 5.8 mt -150.42 135.93 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.35 123.3 47.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 88' ' ' THR . 65.9 mttt -56.68 149.22 18.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.7 ' OD2' ' HB2' ' A' ' 52' ' ' ALA . 6.0 m-20 -124.81 176.25 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -39.52 -29.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ASP . 33.9 t0 -118.43 51.36 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 53.5 -137.15 39.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.726 HD21 HG21 ' A' ' 92' ' ' VAL . 2.8 mt -75.16 -53.0 9.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.3 49.32 3.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.752 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -138.51 152.98 25.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 0.731 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -109.0 140.67 42.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.671 HG21 ' CD1' ' A' ' 85' ' ' LEU . 1.4 pt -116.18 158.39 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.632 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -135.66 135.35 51.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.87 107.93 3.61 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.467 ' CG ' HG12 ' A' ' 27' ' ' ILE . 2.1 mmm -128.64 160.96 30.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -100.91 112.4 4.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.411 HG21 ' HA3' ' A' ' 41' ' ' GLY . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HD2' HG12 ' A' ' 74' ' ' VAL . 7.7 mttt -127.59 99.4 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.455 HD12 ' HA2' ' A' ' 30' ' ' GLY . 5.4 tp -59.27 129.04 40.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.411 ' HA3' HG21 ' A' ' 31' ' ' VAL . . . -106.37 126.0 8.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.408 HG13 ' HB2' ' A' ' 81' ' ' ALA . 26.7 mm -87.72 100.16 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.632 ' HB2' HG23 ' A' ' 27' ' ' ILE . 88.9 m-85 -101.95 163.85 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.591 HG21 ' OD2' ' A' ' 63' ' ' ASP . 21.3 t -92.1 101.67 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -55.45 -42.76 74.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.776 ' HA ' HG22 ' A' ' 61' ' ' VAL . 3.6 t -170.75 171.4 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.579 HG22 HG22 ' A' ' 24' ' ' ILE . 86.6 t -125.41 123.22 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -50.91 138.71 18.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -72.22 115.74 11.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 37.57 16.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.36 -169.57 28.01 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.7 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . . . -80.01 -38.99 30.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.752 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -74.94 -33.01 61.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -66.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -42.52 -37.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -56.59 -56.59 19.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.45 -36.0 4.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.506 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -47.31 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 0.805 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.9 mt -67.8 131.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 12.8 mt-30 -130.44 150.76 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.776 HG22 ' HA ' ' A' ' 46' ' ' THR . 90.2 t -42.35 150.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.8 m-80 76.97 0.7 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.977 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -64.22 142.11 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.479 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 32.0 tt0 -110.01 106.61 16.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.742 HG22 HD12 ' A' ' 73' ' ' LEU . 11.9 mt -79.37 88.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.89 -36.79 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.5 tt0 -144.26 158.64 43.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.585 HG23 ' CG2' ' A' ' 65' ' ' ILE . 1.2 t -143.35 117.66 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 53.06 21.16 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.76 -28.58 11.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.522 HG21 ' CG2' ' A' ' 84' ' ' VAL . 36.0 mt -66.03 136.16 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -89.56 136.5 32.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.742 HD12 HG22 ' A' ' 65' ' ' ILE . 57.9 mt -121.54 41.88 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 76' ' ' VAL . 91.6 t -110.88 131.59 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.27 81.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 74' ' ' VAL . 4.4 m -118.2 145.85 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.746 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' GLN . 3.1 t -68.79 140.52 55.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' THR . 4.4 tt0 -38.68 -42.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -51.69 -58.2 7.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 4.6 t80 -45.08 -54.9 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.408 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -52.91 -57.95 8.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' ALA . . . -40.02 -50.76 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' ASN . 85.7 m -55.22 -51.95 64.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.581 HG12 HG11 ' A' ' 68' ' ' VAL . 25.0 t -53.17 -57.76 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.671 ' CD1' HG21 ' A' ' 26' ' ' ILE . 33.7 mt -58.26 -19.92 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.43 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 1.7 ttt180 -89.28 -25.6 21.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.0 m-80 -81.73 -35.71 29.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.476 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 1.9 p -40.11 161.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.579 ' O ' ' C ' ' A' ' 90' ' ' GLY . 5.7 mmpt? -133.17 -170.61 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -20.27 -82.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -80.68 140.19 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.726 HG21 HD21 ' A' ' 22' ' ' LEU . 47.3 t -141.61 117.97 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.472 ' NE ' ' CG ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -91.57 110.99 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.597 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 97.2 m-85 -104.6 123.71 48.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.6 t -98.81 93.99 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.977 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.4 mm -79.58 156.2 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -125.66 102.4 0.66 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -105.38 154.28 20.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.7 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.685 HD22 HG21 ' A' ' 66' ' ' VAL . 25.8 mt -93.34 110.84 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 21.3 p90 -127.88 132.46 24.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.402 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -75.01 130.97 13.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' PHE . 40.7 t -122.36 119.07 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.77 134.8 35.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.599 ' CD1' HD12 ' A' ' 59' ' ' ILE . 6.9 mt -135.15 143.26 46.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.1 mt-10 -108.09 109.49 20.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 29.4 mttt -38.5 152.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.832 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 3.0 m-20 -121.76 176.92 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -47.71 -24.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -104.29 -23.11 13.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.38 -132.05 8.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.601 HD22 ' HZ ' ' A' ' 94' ' ' PHE . 22.3 mt -66.2 -52.57 46.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.774 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 24' ' ' ILE . . . 82.05 51.41 4.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.686 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 12.7 pt -151.81 152.13 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.69 147.77 31.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 85' ' ' LEU . 1.2 pt -125.81 160.74 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.641 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -135.61 139.96 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.88 117.2 5.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.746 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.7 mmm -135.48 153.53 51.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.598 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -97.4 107.32 3.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.436 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.9 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.0 97.07 4.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -49.47 130.51 20.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.436 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -113.05 120.35 5.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.463 HG13 ' HB2' ' A' ' 81' ' ' ALA . 22.9 mm -86.36 102.73 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.641 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.3 m-85 -102.56 164.06 11.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 61' ' ' VAL . 10.3 t -91.65 104.2 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -56.77 -43.13 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.725 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.8 t -170.29 175.24 4.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.41 ' N ' ' OG1' ' A' ' 46' ' ' THR . 70.8 t -123.82 125.27 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -55.51 150.81 11.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.95 111.82 18.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.82 11.67 61.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.68 -170.85 6.46 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.832 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -81.63 -46.27 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.686 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -68.19 -34.45 76.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.71 -59.35 5.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -49.98 -51.36 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -46.43 -56.22 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.449 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 92.42 11.42 59.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -92.81 -65.92 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' A' ' 15' ' ' LEU . 23.5 mt -68.69 115.78 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 15.6 mm-40 -104.74 174.69 5.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 46' ' ' THR . 52.4 t -74.92 149.42 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 8.9 m-80 76.63 0.52 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 14.6 m-20 -62.64 159.93 15.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 39.2 tt0 -121.35 110.17 15.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.522 ' CG2' HG23 ' A' ' 68' ' ' VAL . 7.8 mt -77.85 88.59 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.685 HG21 HD22 ' A' ' 10' ' ' LEU . 56.2 t -65.0 -38.03 81.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.9 tt0 -147.12 155.17 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.84 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -139.97 118.47 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 52.04 21.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.415 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.41 -27.59 15.0 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.581 HG21 ' CG2' ' A' ' 84' ' ' VAL . 42.9 mt -66.81 140.47 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -94.51 128.4 41.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.728 HD21 HG11 ' A' ' 84' ' ' VAL . 17.3 mt -112.13 39.29 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.665 ' O ' HG13 ' A' ' 76' ' ' VAL . 83.1 t -111.38 139.45 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.17 42.71 88.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 74' ' ' VAL . 10.9 m -137.57 145.03 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' GLN . 9.9 t -68.42 143.45 55.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' THR . 13.3 tt0 -37.94 -47.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.44 -57.73 2.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' A' ' 76' ' ' VAL . 8.6 t80 -50.45 -51.93 42.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.29 -51.05 65.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.59 -47.13 28.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 87' ' ' ASN . 82.7 m -57.18 -53.02 62.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.456 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.84 HG12 HG11 ' A' ' 68' ' ' VAL . 99.5 t -52.04 -55.93 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 26' ' ' ILE . 34.9 mt -61.03 -20.13 62.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -88.46 -25.09 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.4 m-80 -81.98 -37.58 26.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 84' ' ' VAL . 6.5 p -37.05 150.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.58 ' O ' ' C ' ' A' ' 90' ' ' GLY . 19.6 mttt -125.17 -171.34 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -20.29 -82.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -82.94 141.43 32.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.527 HG21 HD21 ' A' ' 22' ' ' LEU . 40.9 t -141.12 133.63 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.402 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -104.29 106.27 16.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.623 ' CD1' HG22 ' A' ' 68' ' ' VAL . 95.6 m-85 -100.3 120.6 40.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -100.31 92.7 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.631 HD13 ' N ' ' A' ' 96' ' ' ILE . 2.3 mm -80.38 158.9 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -122.69 119.45 3.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -118.44 150.63 39.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.449 HD13 ' HA2' ' A' ' 97' ' ' GLY . 1.4 mm? -93.8 111.16 22.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 19.9 p90 -132.36 135.27 26.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.1 Cg_endo -75.05 134.66 17.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 94' ' ' PHE . 37.4 t -126.39 126.04 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -85.47 147.4 26.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.758 HD22 ' HB1' ' A' ' 52' ' ' ALA . 4.6 mt -150.28 134.11 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -104.09 108.76 20.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.453 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 64.4 mttt -41.63 145.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.686 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -118.65 175.7 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -41.49 -27.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 18' ' ' ASP . 6.0 t70 -118.57 49.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 58.56 -147.93 38.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.642 HD21 HG21 ' A' ' 92' ' ' VAL . 4.5 mt -61.84 -58.46 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.94 52.47 1.18 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.765 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.1 pt -150.86 158.41 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 m -116.03 146.64 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.52 HG21 HD11 ' A' ' 85' ' ' LEU . 1.3 pt -121.97 162.52 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.616 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -136.47 139.52 45.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.55 114.35 4.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.674 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.5 mmm -132.26 152.76 51.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.62 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -93.38 108.59 3.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -127.51 119.47 26.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -71.75 129.47 38.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' MET . . . -105.46 138.09 14.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.609 HG13 ' HB2' ' A' ' 81' ' ' ALA . 21.6 mm -102.32 96.82 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.616 ' HB2' HG23 ' A' ' 27' ' ' ILE . 90.8 m-85 -100.52 163.36 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.593 HG21 ' OD2' ' A' ' 63' ' ' ASP . 23.1 t -91.32 106.85 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -60.32 -41.14 92.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.731 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.5 t -170.41 174.43 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 24' ' ' ILE . 80.8 t -123.98 126.74 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -54.17 148.83 10.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.45 103.04 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.34 7.74 51.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.02 -174.72 27.57 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.758 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -70.98 -62.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 0.705 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.765 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -53.29 -29.11 31.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -70.74 -62.77 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -56.25 -30.54 62.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -65.58 -51.95 55.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.43 -35.0 4.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.536 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -46.06 -70.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.5 mt -67.56 133.92 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -130.84 148.11 52.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.731 HG22 ' HA ' ' A' ' 46' ' ' THR . 97.0 t -40.97 150.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.0 m-80 76.89 0.41 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.957 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -63.44 142.7 58.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.474 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 36.0 tt0 -109.88 105.42 14.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.641 ' CG2' HG23 ' A' ' 68' ' ' VAL . 7.5 mt -76.86 85.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.556 HG13 HG21 ' A' ' 74' ' ' VAL . 58.9 t -63.18 -38.9 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 9.3 tt0 -143.94 155.56 44.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.641 HG23 ' CG2' ' A' ' 65' ' ' ILE . 1.2 t -140.78 119.71 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 51.44 21.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.411 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.92 -28.37 12.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.589 HD12 HG13 ' A' ' 84' ' ' VAL . 68.8 mt -66.05 136.61 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t -92.09 123.02 35.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.581 HD23 ' HE1' ' A' ' 80' ' ' PHE . 45.1 mt -107.58 35.88 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.652 ' O ' HG13 ' A' ' 76' ' ' VAL . 48.6 t -106.82 138.04 34.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.1 42.08 86.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.709 HG21 ' CD1' ' A' ' 80' ' ' PHE . 14.0 m -135.37 144.7 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 80' ' ' PHE . 9.0 t -66.71 138.18 57.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 110.379 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' THR . 8.5 tt0 -36.12 -45.94 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.35 -51.29 6.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.709 ' CD1' HG21 ' A' ' 76' ' ' VAL . 45.7 t80 -57.29 -53.31 59.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.609 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -56.19 -45.37 79.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.92 73.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.5 m -62.51 -51.22 68.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.6 HG12 HG11 ' A' ' 68' ' ' VAL . 76.3 t -53.72 -56.77 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.52 HD11 HG21 ' A' ' 26' ' ' ILE . 70.4 mt -52.89 -27.2 17.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -85.17 -23.65 28.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 84' ' ' VAL . 6.5 m-20 -75.77 -41.88 51.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 84' ' ' VAL . 64.2 p -43.81 163.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.597 ' O ' ' C ' ' A' ' 90' ' ' GLY . 6.0 mmtt -134.48 -169.32 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.35 -80.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -81.93 138.09 35.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.77 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.642 HG21 HD21 ' A' ' 22' ' ' LEU . 36.9 t -141.28 133.46 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.4 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -104.66 106.97 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.62 ' CD1' HG22 ' A' ' 68' ' ' VAL . 99.1 m-85 -100.92 123.37 45.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -99.99 94.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.957 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.7 mm -80.17 156.12 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.449 ' HA2' HD13 ' A' ' 10' ' ' LEU . . . -124.83 102.8 0.7 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -104.56 154.5 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.237 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 6.9 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.598 HD23 ' HA2' ' A' ' 97' ' ' GLY . 37.7 mt -99.13 110.39 22.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.55 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 4.6 p90 -126.19 135.57 27.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.5 10.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.6 t -117.99 124.02 72.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -83.76 144.31 29.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 15' ' ' LEU . 7.3 mt -146.71 138.29 24.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -106.92 114.94 29.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 21.9 mttt -41.4 147.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -115.83 175.83 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -48.09 -23.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -105.72 -22.17 13.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 121.41 -137.0 11.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 93.1 mt -59.24 -57.66 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.18 51.08 3.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.739 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.2 pt -152.31 163.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.9 m -113.89 152.86 30.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.648 HG21 ' CD1' ' A' ' 85' ' ' LEU . 2.8 pt -130.34 158.22 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.478 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -138.88 137.88 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.95 112.66 4.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.2 mmm -131.13 162.67 29.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.489 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -103.82 116.61 5.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HD2' HG12 ' A' ' 74' ' ' VAL . 2.3 mmtt -127.85 97.48 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD12 ' HA2' ' A' ' 30' ' ' GLY . 5.7 tp -54.32 124.37 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -103.46 121.83 7.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.518 HG13 ' HB2' ' A' ' 81' ' ' ALA . 25.5 mm -84.06 100.31 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.478 ' HB2' HG23 ' A' ' 27' ' ' ILE . 87.6 m-85 -101.78 163.42 12.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.5 t -93.79 112.36 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -63.42 -40.85 98.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.734 ' HA ' HG22 ' A' ' 61' ' ' VAL . 8.6 t -170.49 179.88 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.437 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 24' ' ' ILE . 92.9 t -127.83 131.72 69.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -63.82 138.21 58.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.07 102.39 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.52 31.28 5.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.5 -157.67 29.7 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.996 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -89.21 -48.39 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.739 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -65.97 -33.02 74.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -65.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -40.68 -49.26 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.6 -55.28 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 92.63 -0.51 70.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.494 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -76.08 -68.48 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 110.298 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.3 mt -69.07 134.81 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 6.9 mm-40 -118.5 175.49 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' A' ' 46' ' ' THR . 53.1 t -70.62 148.68 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 12.1 m-80 77.5 3.28 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 1.029 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -61.83 142.48 57.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.506 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 36.6 tt0 -106.61 103.13 12.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.649 ' CG2' HG23 ' A' ' 68' ' ' VAL . 9.2 mt -73.24 84.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.442 HG21 HD22 ' A' ' 10' ' ' LEU . 57.7 t -62.68 -37.15 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.1 tt0 -146.12 157.23 43.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.649 HG23 ' CG2' ' A' ' 65' ' ' ILE . 1.2 t -143.18 118.32 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 52.87 20.76 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.415 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.33 -27.83 13.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.438 HG21 HG21 ' A' ' 84' ' ' VAL . 62.0 mt -66.43 136.09 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.02 122.56 34.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.998 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.567 HD23 ' HE1' ' A' ' 80' ' ' PHE . 42.3 mt -106.86 41.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.769 ' O ' HG13 ' A' ' 76' ' ' VAL . 89.6 t -109.4 139.83 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.377 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.416 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 53.23 42.42 63.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 74' ' ' VAL . 5.2 m -131.33 150.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.472 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 10.0 t -68.22 140.0 56.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -37.51 -41.07 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.19 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.685 ' CD1' HG21 ' A' ' 76' ' ' VAL . 54.5 t80 -40.1 -56.83 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -55.8 -51.52 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.01 -46.45 52.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 53.4 m -60.95 -50.38 73.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.556 HG11 HD21 ' A' ' 73' ' ' LEU . 51.2 t -54.15 -56.3 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.648 ' CD1' HG21 ' A' ' 26' ' ' ILE . 50.4 mt -53.13 -25.53 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -86.68 -24.32 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -76.85 -37.79 54.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 84' ' ' VAL . 47.6 p -41.54 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.614 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.3 mmtt -134.84 -172.05 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.65 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -80.55 138.88 36.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 31.4 t -142.02 129.63 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 68' ' ' VAL . 1.1 mpp_? -102.86 121.12 41.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.63 ' CD1' HG22 ' A' ' 68' ' ' VAL . 99.2 m-85 -113.71 121.68 44.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.7 t -94.8 94.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 1.029 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.1 mm -79.61 146.57 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.598 ' HA2' HD23 ' A' ' 10' ' ' LEU . . . -117.96 102.21 0.96 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -101.25 156.31 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.579 HD22 HG21 ' A' ' 66' ' ' VAL . 37.8 mt -93.6 111.09 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.601 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 20.8 p90 -133.05 132.59 22.42 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.28 14.13 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' PHE . 42.2 t -121.5 123.12 68.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -82.15 136.29 35.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.754 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.7 mt -138.94 133.25 31.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.58 120.86 37.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' CD ' ' O ' ' A' ' 89' ' ' LYS . 2.1 mtpt -65.42 132.55 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.8 m-20 -110.08 176.28 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -39.55 -29.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' ASP . 13.9 t70 -111.74 52.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 49.98 -133.23 28.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.665 HD22 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -78.59 -52.59 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.41 41.51 3.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.673 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -137.64 156.34 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -111.93 156.86 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.634 HG21 ' CD1' ' A' ' 85' ' ' LEU . 1.7 pt -127.81 177.79 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.575 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -153.26 139.18 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.09 109.93 3.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.496 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.6 mmm -128.19 158.51 37.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.429 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -105.31 111.28 3.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.434 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.1 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -127.57 99.6 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 29' ' ' MET . 7.4 tp -61.38 131.02 48.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.434 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -107.37 116.97 5.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.426 HG13 ' HB2' ' A' ' 81' ' ' ALA . 27.0 mm -83.92 101.76 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.575 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.6 m-85 -101.96 163.91 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 61' ' ' VAL . 12.5 t -89.52 104.56 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -55.14 -45.24 75.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.694 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.4 t -170.53 179.39 3.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.619 HG22 HG22 ' A' ' 24' ' ' ILE . 65.2 t -131.29 129.8 62.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -61.9 134.3 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.89 110.07 5.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.85 33.01 9.35 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.45 -158.48 30.79 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -88.59 -49.95 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.754 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -64.37 -36.58 84.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -65.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -41.87 -44.38 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -47.56 -55.87 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.18 -4.09 77.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.441 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.0 -64.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.341 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.481 ' CD1' HD12 ' A' ' 15' ' ' LEU . 5.8 mt -68.89 131.47 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 7.3 mm-40 -119.16 174.99 6.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.694 HG22 ' HA ' ' A' ' 46' ' ' THR . 54.0 t -79.03 148.23 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.1 m-80 77.2 0.8 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.439 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 15.7 m-20 -63.12 172.14 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -128.26 109.87 11.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.46 ' CG2' HG23 ' A' ' 68' ' ' VAL . 57.6 mt -80.92 86.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.597 HG13 HG21 ' A' ' 74' ' ' VAL . 54.6 t -62.45 -39.32 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 4.7 tt0 -146.5 156.88 43.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.646 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -142.02 114.69 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 69' ' ' ASP . 16.4 t0 55.81 28.12 11.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.31 -26.15 25.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.797 HD12 HG13 ' A' ' 84' ' ' VAL . 85.3 mt -67.05 139.62 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.404 ' C ' HD23 ' A' ' 73' ' ' LEU . 3.1 t -95.15 120.34 35.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.971 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.451 HD12 ' CG2' ' A' ' 65' ' ' ILE . 9.3 mt -104.6 27.13 8.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.597 HG21 HG13 ' A' ' 66' ' ' VAL . 77.4 t -104.51 137.07 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.24 33.19 79.21 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 74' ' ' VAL . 12.0 m -127.7 148.99 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.777 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.463 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 6.8 t -69.46 144.39 53.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' THR . 32.0 tt0 -38.57 -48.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.32 -61.69 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.578 ' CD1' HG21 ' A' ' 76' ' ' VAL . 36.1 t80 -43.26 -58.14 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -55.36 -48.45 74.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.487 ' O ' ' CG ' ' A' ' 86' ' ' ARG . . . -55.16 -45.24 75.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -57.92 -55.51 33.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.797 HG13 HD12 ' A' ' 71' ' ' ILE . 60.5 t -54.48 -62.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.634 ' CD1' HG21 ' A' ' 26' ' ' ILE . 23.7 mt -53.29 -18.26 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -93.39 -19.22 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.255 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.56 ' OD1' ' C ' ' A' ' 87' ' ' ASN . 34.3 p30 -106.26 11.95 30.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.73 ' HB ' HG21 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -67.16 141.83 57.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' ' C ' ' A' ' 90' ' ' GLY . 2.1 mmtt -99.25 -179.67 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -28.81 -84.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -82.37 133.28 35.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.73 HG21 ' HB ' ' A' ' 88' ' ' THR . 23.0 t -133.37 127.91 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -94.01 121.06 35.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.665 ' CZ ' HD22 ' A' ' 22' ' ' LEU . 89.2 m-85 -110.48 120.77 43.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 95' ' ' VAL . 6.0 t -97.34 91.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.68 HD13 ' N ' ' A' ' 96' ' ' ILE . 1.8 mm -80.92 154.04 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.18 109.14 1.83 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -100.35 139.16 36.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.617 HD22 HG21 ' A' ' 66' ' ' VAL . 21.7 mt -94.51 110.24 22.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 10.9 p90 -124.9 133.86 25.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.25 17.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 110.99 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 94' ' ' PHE . 43.8 t -127.46 118.29 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.14 139.19 34.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.632 HD11 ' HA ' ' A' ' 53' ' ' ALA . 3.6 mt -139.14 140.45 37.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 4.2 mt-10 -109.82 106.76 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.446 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 68.3 mttt -39.66 156.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.676 ' OD2' ' HB2' ' A' ' 52' ' ' ALA . 6.3 m-20 -129.9 176.35 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 20' ' ' ASP . 0.8 OUTLIER -40.75 -29.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 5.8 t0 -120.92 49.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 58.91 -142.93 45.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.565 1.165 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 1.2 mt -74.14 -56.32 5.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.0 49.25 1.94 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.732 HG22 HG22 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -141.85 152.6 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 m -107.07 155.52 19.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.666 HG21 HD11 ' A' ' 85' ' ' LEU . 1.4 pt -133.05 157.09 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -133.85 142.9 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.62 117.52 5.82 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.755 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -133.67 156.2 48.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.579 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -97.59 103.91 2.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.458 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -121.54 96.87 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -53.41 131.16 37.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.32 120.35 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.591 HG13 ' HB2' ' A' ' 81' ' ' ALA . 20.8 mm -84.14 99.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.546 ' HB2' HG23 ' A' ' 27' ' ' ILE . 93.9 m-85 -99.56 163.9 12.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 61' ' ' VAL . 11.3 t -90.36 110.49 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -61.07 -45.64 93.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.672 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.8 t -170.21 171.6 6.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.732 HG22 HG22 ' A' ' 24' ' ' ILE . 95.0 t -123.59 122.42 64.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -51.86 137.74 25.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.79 94.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.84 40.71 2.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.76 -171.96 29.08 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.676 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . . . -75.33 -45.02 42.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.715 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -69.33 -31.8 70.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.48 -65.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -40.6 -43.97 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -51.81 -55.98 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.68 -3.51 71.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.469 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -82.23 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.453 ' CD1' HD12 ' A' ' 15' ' ' LEU . 11.1 mt -67.85 123.6 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 3.0 mm-40 -112.87 175.24 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.672 HG22 ' HA ' ' A' ' 46' ' ' THR . 53.0 t -78.19 148.2 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.3 m-80 77.23 0.16 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.354 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 16.1 m-20 -61.91 171.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 31.9 tt0 -129.52 110.87 12.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.554 ' CG2' HG23 ' A' ' 68' ' ' VAL . 12.6 mt -81.04 88.06 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.617 HG21 HD22 ' A' ' 10' ' ' LEU . 44.5 t -64.13 -39.84 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 9.4 tt0 -143.83 158.65 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.686 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -143.74 118.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.2 21.25 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.404 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.12 -27.42 14.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 111.057 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.589 HD12 HG13 ' A' ' 84' ' ' VAL . 64.5 mt -66.4 136.43 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.1 t -92.45 124.12 36.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 110.014 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.669 HD23 ' HE2' ' A' ' 80' ' ' PHE . 75.8 mt -107.99 43.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.753 ' O ' HG13 ' A' ' 76' ' ' VAL . 97.5 t -111.87 139.47 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.49 41.8 64.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.753 HG13 ' O ' ' A' ' 74' ' ' VAL . 11.9 m -133.86 145.19 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 78' ' ' GLN . 10.0 t -68.24 140.87 56.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 77' ' ' THR . 12.1 tt0 -37.23 -45.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -44.18 -55.45 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.736 ' CD2' HG21 ' A' ' 76' ' ' VAL . 68.7 t80 -49.9 -56.36 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.591 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.75 -47.36 73.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.33 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.6 m -64.49 -49.42 71.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.686 HG12 HG11 ' A' ' 68' ' ' VAL . 96.5 t -54.05 -57.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.666 HD11 HG21 ' A' ' 26' ' ' ILE . 66.3 mt -52.58 -28.13 19.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -83.83 -22.38 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' VAL . 1.5 m-80 -79.42 -45.8 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.485 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 9.9 p -38.07 155.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.587 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.0 OUTLIER -128.65 -170.42 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.79 -80.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.85 138.95 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.649 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 40.1 t -141.18 132.84 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 103.47 13.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.649 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 99.3 m-85 -99.33 121.75 41.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -101.07 92.68 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.587 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.6 mm -80.31 157.08 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -121.04 121.77 4.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.59 144.33 44.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -94.98 110.9 22.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.6 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.35 136.12 28.16 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -74.99 134.96 18.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 94' ' ' PHE . 24.6 t -127.49 122.47 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.01 136.12 34.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.856 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.8 mt -143.07 128.52 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -95.47 127.54 41.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 40.9 mttt -62.75 149.96 42.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.65 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -121.46 175.44 6.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ASP . 10.2 pt-20 -38.69 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ASP . 5.3 t70 -119.16 53.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 56.15 -148.81 28.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -68.02 -56.55 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.3 38.04 2.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.897 HG22 HG22 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -132.35 156.48 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 m -113.62 156.1 24.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.543 HG21 HD11 ' A' ' 85' ' ' LEU . 1.9 pt -124.94 171.9 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -148.73 143.53 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.51 112.14 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.7 mmm -133.66 158.76 42.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -109.43 112.29 3.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.29 98.52 5.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 76' ' ' VAL . 5.2 tp -55.86 112.39 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -92.1 114.49 4.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 73' ' ' LEU . 18.6 mm -83.27 99.87 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.452 0.737 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 86.6 m-85 -98.7 163.49 12.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -87.63 110.42 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -61.84 -42.5 99.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.656 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.1 t -170.36 172.65 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.897 HG22 HG22 ' A' ' 24' ' ' ILE . 92.8 t -127.22 125.37 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.3 m -51.15 138.69 19.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -71.37 99.81 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.0 28.16 9.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.05 -168.46 42.86 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.65 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -72.35 -59.28 2.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.856 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -61.29 -24.85 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -65.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -47.56 -47.29 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -49.0 -55.74 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.9 -32.37 6.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -49.6 -70.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.422 ' CD1' HD12 ' A' ' 15' ' ' LEU . 7.9 mt -66.48 129.64 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -125.54 167.89 14.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.656 HG22 ' HA ' ' A' ' 46' ' ' THR . 74.5 t -68.19 151.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 14.4 m-80 79.06 -1.07 2.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.473 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 22.1 m-20 -66.38 170.57 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 16.8 tt0 -129.28 123.63 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.773 HG21 HD12 ' A' ' 73' ' ' LEU . 27.1 mt -91.71 94.66 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.7 t -74.94 -40.04 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.1 tt0 -146.16 148.31 32.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.615 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -132.9 108.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.59 11.73 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' O ' ' CD ' ' A' ' 67' ' ' GLU . . . 113.15 -12.59 24.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.456 HG21 ' CG2' ' A' ' 84' ' ' VAL . 58.3 mt -85.95 129.81 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.67 122.74 23.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.773 HD12 HG21 ' A' ' 65' ' ' ILE . 13.6 mt -104.56 -6.64 20.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.9 144.14 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.412 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 69.15 31.28 71.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.651 HG21 ' CD1' ' A' ' 80' ' ' PHE . 4.1 m -135.33 156.25 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 80' ' ' PHE . 9.8 t -68.36 138.75 55.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -41.2 -33.34 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.82 -52.23 65.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.651 ' CD1' HG21 ' A' ' 76' ' ' VAL . 8.3 t80 -51.98 -54.76 25.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.512 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -55.8 -40.87 73.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.9 88.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -68.09 -45.22 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.763 HG11 HD21 ' A' ' 73' ' ' LEU . 70.5 t -59.4 -56.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.543 HD11 HG21 ' A' ' 26' ' ' ILE . 22.1 mt -54.1 -22.51 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -87.02 -15.68 37.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 84' ' ' VAL . 4.1 m-80 -91.15 -38.47 12.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 84' ' ' VAL . 44.6 p -39.3 159.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -129.01 178.09 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -15.51 -85.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.78 126.28 30.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.483 ' HB ' ' CE2' ' A' ' 94' ' ' PHE . 34.0 t -127.37 132.96 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.431 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -99.26 104.04 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.615 ' CD1' HG22 ' A' ' 68' ' ' VAL . 98.0 m-85 -99.73 122.39 42.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.9 t -98.03 93.99 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.6 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.4 mm -79.61 151.09 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.95 102.57 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -103.74 148.19 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.565 HD22 HG21 ' A' ' 66' ' ' VAL . 46.6 mt -94.65 111.01 22.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.84 134.01 24.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.417 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.6 Cg_endo -74.93 134.69 18.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' PHE . 26.7 t -126.29 126.36 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -84.52 145.49 28.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.741 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.8 mt -151.1 135.0 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.48 121.64 43.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.445 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 38.9 mttt -56.19 147.43 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.595 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -120.32 174.79 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -39.39 -29.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' ASP . 15.5 t0 -118.05 53.61 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 55.26 -146.35 29.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 92' ' ' VAL . 3.7 mt -66.65 -57.66 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.9 41.5 2.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.788 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -137.73 161.6 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -113.93 155.63 25.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.774 HG21 ' CD1' ' A' ' 85' ' ' LEU . 3.0 pt -128.8 167.8 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.557 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -147.91 140.57 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.73 111.84 4.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.57 1.169 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.4 mmm -130.56 162.55 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.94 114.88 5.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.436 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -127.83 98.53 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.3 tp -54.05 129.98 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -112.02 123.13 6.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.421 HG13 ' HB2' ' A' ' 81' ' ' ALA . 16.2 mm -85.23 111.73 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.557 ' HB2' HG23 ' A' ' 27' ' ' ILE . 86.2 m-85 -110.99 164.67 12.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.855 HG23 ' OD1' ' A' ' 63' ' ' ASP . 22.0 t -89.4 104.67 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -57.08 -42.7 81.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.598 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.2 t -171.07 177.72 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.706 HG22 HG22 ' A' ' 24' ' ' ILE . 85.6 t -131.18 127.84 61.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -58.2 143.58 43.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.27 99.47 3.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.31 19.28 19.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.28 -174.67 47.86 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.69 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -71.88 -51.47 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.788 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -65.76 -27.26 68.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.79 -64.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -50.28 -44.21 53.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -46.06 -49.35 16.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 84.46 -4.73 83.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -82.66 -65.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.556 ' CD1' HD12 ' A' ' 15' ' ' LEU . 5.6 mt -68.6 129.9 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 9.4 mm-40 -116.47 177.5 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.9 t -83.02 146.21 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.2 m-80 77.73 11.49 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.855 ' OD1' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -73.4 175.93 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 31.3 tt0 -131.17 115.91 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.583 ' CG2' HD12 ' A' ' 73' ' ' LEU . 6.9 mt -85.39 89.96 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.565 HG21 HD22 ' A' ' 10' ' ' LEU . 47.6 t -68.09 -37.08 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 5.7 tt0 -147.41 159.18 43.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.666 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -143.95 117.86 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.65 20.16 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.409 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.26 -28.41 11.02 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 48.1 mt -66.12 140.24 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -93.0 123.22 36.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.805 HD21 HG11 ' A' ' 84' ' ' VAL . 69.7 mt -106.93 34.64 3.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.766 ' O ' HG13 ' A' ' 76' ' ' VAL . 87.2 t -106.28 141.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.5 44.71 59.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.766 HG13 ' O ' ' A' ' 74' ' ' VAL . 5.9 m -133.77 147.95 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.434 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 t -68.25 143.5 55.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.1 OUTLIER -38.31 -47.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -46.31 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.583 ' HE1' HD23 ' A' ' 73' ' ' LEU . 25.7 t80 -37.41 -53.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.21 -58.36 7.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.86 -52.01 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' ASN . 57.8 m -56.34 -51.66 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.805 HG11 HD21 ' A' ' 73' ' ' LEU . 54.8 t -51.87 -55.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.774 ' CD1' HG21 ' A' ' 26' ' ' ILE . 68.1 mt -60.6 -24.24 65.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 1.6 ttt180 -83.6 -27.86 28.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 83' ' ' THR . 6.6 m-80 -74.75 -48.4 25.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 84' ' ' VAL . 76.0 p -36.48 151.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.608 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.2 OUTLIER -121.83 -172.77 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -18.03 -81.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -77.73 137.53 38.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.644 HG21 HD21 ' A' ' 22' ' ' LEU . 46.7 t -140.41 131.22 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.417 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -102.69 107.48 18.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.613 ' CD1' HG22 ' A' ' 68' ' ' VAL . 95.0 m-85 -101.27 123.68 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 95' ' ' VAL . 4.3 t -100.14 93.28 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.724 HG23 ' OD2' ' A' ' 63' ' ' ASP . 2.7 mm -80.41 152.08 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.548 ' HA2' HD23 ' A' ' 10' ' ' LEU . . . -117.04 105.85 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -99.5 146.54 26.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.2 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.9 110.45 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 9.3 p90 -126.48 131.71 24.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 120.56 6.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.6 t -111.72 122.85 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.11 145.48 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.78 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.6 mt -147.07 132.86 18.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -104.68 110.78 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 88' ' ' THR . 51.6 mttt -39.27 154.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.797 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 77.9 m-20 -128.72 175.9 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -41.16 -31.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.263 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.94 47.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 60.47 -141.95 47.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.515 HD21 HG21 ' A' ' 92' ' ' VAL . 4.1 mt -69.69 -57.05 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.36 53.51 1.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.643 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -142.72 153.59 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.364 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.445 ' HB2' HG22 ' A' ' 46' ' ' THR . 1.9 m -111.5 138.54 47.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.634 HG21 HD11 ' A' ' 85' ' ' LEU . 2.4 pt -111.36 -177.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -158.04 142.67 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.13 110.92 4.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.8 mmm -129.89 160.74 32.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.36 114.13 4.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -127.33 97.45 4.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 6.2 tp -56.73 129.88 43.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.45 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -110.42 119.51 5.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.509 HG13 ' HB2' ' A' ' 81' ' ' ALA . 17.2 mm -83.46 111.1 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.1 m-85 -111.25 164.24 13.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 61' ' ' VAL . 40.8 t -88.59 102.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -57.68 -40.98 80.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.736 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.7 t -170.66 170.67 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.584 HG22 HG22 ' A' ' 24' ' ' ILE . 86.3 t -126.53 120.29 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.4 m -49.9 134.97 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -71.7 104.54 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.44 26.33 12.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.07 170.88 32.14 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.797 ' HB2' ' CG ' ' A' ' 18' ' ' ASP . . . -57.85 -55.61 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.36 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.78 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -56.42 -43.31 79.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.3 -57.2 14.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -43.69 -41.48 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.51 -55.41 35.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.35 -20.21 50.51 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.501 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 3.9 mmm180 -64.58 -63.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 0.724 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -68.26 104.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.85 170.44 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.736 HG22 ' HA ' ' A' ' 46' ' ' THR . 60.3 t -70.14 148.96 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.1 m-80 77.11 0.9 3.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 13.2 m-20 -64.99 170.41 4.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 30.0 tt0 -129.57 112.77 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.676 ' CG2' HD12 ' A' ' 73' ' ' LEU . 6.2 mt -81.9 88.11 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.96 -39.37 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 8.7 tt0 -146.27 158.83 43.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.633 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -144.31 117.75 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 53.65 20.5 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.431 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.33 -27.29 14.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.602 HG21 ' CG2' ' A' ' 84' ' ' VAL . 64.6 mt -67.55 136.04 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.776 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.1 122.01 34.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.676 HD12 ' CG2' ' A' ' 65' ' ' ILE . 40.0 mt -105.11 38.01 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.731 ' O ' HG13 ' A' ' 76' ' ' VAL . 68.7 t -109.24 139.64 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 54.54 44.79 78.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.823 HG21 ' CD1' ' A' ' 80' ' ' PHE . 4.6 m -136.77 151.24 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.459 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 8.2 t -68.63 141.75 55.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -39.7 -39.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -58.39 6.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.823 ' CD1' HG21 ' A' ' 76' ' ' VAL . 47.0 t80 -44.96 -55.45 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.509 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.9 -47.25 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.02 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.6 m -62.24 -48.64 79.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.611 HG11 HD21 ' A' ' 73' ' ' LEU . 73.1 t -55.43 -56.56 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.634 HD11 HG21 ' A' ' 26' ' ' ILE . 59.0 mt -52.95 -25.47 12.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -86.24 -22.57 26.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' VAL . 1.9 m-80 -77.81 -40.93 38.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 84' ' ' VAL . 59.4 p -42.9 164.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.611 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -137.12 -169.69 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.17 -82.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -82.88 138.08 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.515 HG21 HD21 ' A' ' 22' ' ' LEU . 23.2 t -142.04 131.94 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 68' ' ' VAL . 23.7 mtm-85 -104.16 118.53 36.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.633 ' CD1' HG22 ' A' ' 68' ' ' VAL . 98.5 m-85 -110.13 117.45 33.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.4 t -95.24 90.83 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.8 mm -80.64 156.31 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.11 112.27 2.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -101.84 143.32 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 5.0 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.473 HD13 HG11 ' A' ' 66' ' ' VAL . 14.1 mt -96.66 110.16 22.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 3.0 p90 -125.23 133.2 24.63 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 121.77 6.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.509 HG11 HG13 ' A' ' 59' ' ' ILE . 43.3 t -111.38 124.99 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.36 138.58 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.772 HD11 ' HA ' ' A' ' 53' ' ' ALA . 2.8 mt -144.37 137.81 27.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 5.7 mt-10 -106.59 129.25 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 67.1 mttt -59.47 150.14 27.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.5 m-20 -126.0 176.53 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -38.76 -31.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 18' ' ' ASP . 24.4 t0 -117.18 52.93 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 55.12 -145.26 30.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.894 HD21 HG21 ' A' ' 92' ' ' VAL . 2.4 mt -65.24 -57.39 8.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.92 52.73 1.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.738 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -146.82 155.54 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.749 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.3 m -110.26 149.54 30.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.619 HG21 HD11 ' A' ' 85' ' ' LEU . 2.1 pt -127.81 156.75 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.652 HG23 ' HB2' ' A' ' 43' ' ' PHE . 1.1 tt -134.58 141.86 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' C ' ' HG2' ' A' ' 29' ' ' MET . . . -97.06 118.52 6.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.482 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.6 mmm -136.23 148.36 48.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 0.787 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.622 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -89.79 107.14 3.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.6 t . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -124.24 100.43 6.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.622 HD22 ' HA2' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -60.07 131.07 49.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -113.72 125.03 6.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.475 HG13 ' HB2' ' A' ' 81' ' ' ALA . 15.1 mm -89.77 106.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.652 ' HB2' HG23 ' A' ' 27' ' ' ILE . 89.9 m-85 -106.19 163.57 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 61' ' ' VAL . 16.8 t -87.72 106.4 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -59.59 -42.43 92.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.695 ' HA ' HG22 ' A' ' 61' ' ' VAL . 3.9 t -170.53 171.94 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.442 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.514 HG22 HG22 ' A' ' 24' ' ' ILE . 87.3 t -124.8 119.29 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -50.36 135.4 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.83 97.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.82 11.02 27.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.79 170.75 55.08 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -57.9 -57.16 14.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.772 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -56.86 -35.01 68.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.409 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.2 tm0? -66.22 -60.3 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -48.99 -39.75 27.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -55.19 -54.04 48.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 89.95 -4.02 83.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -79.6 -67.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.625 HD12 ' CD1' ' A' ' 15' ' ' LEU . 35.6 mt -68.29 123.29 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 2.8 mm-40 -110.32 175.04 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' A' ' 46' ' ' THR . 51.3 t -76.09 149.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.1 m-80 77.6 0.14 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 22.6 m-20 -62.28 170.73 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 16.0 tt0 -128.43 112.77 14.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.829 HG22 HD12 ' A' ' 73' ' ' LEU . 19.0 mt -82.66 86.09 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.473 HG11 HD13 ' A' ' 10' ' ' LEU . 60.8 t -64.31 -35.35 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 6.0 tt0 -147.83 156.74 43.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.58 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -143.1 114.45 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 69' ' ' ASP . 14.2 t0 56.22 26.79 10.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.411 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 100.85 -25.17 29.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.559 HG21 ' CG2' ' A' ' 84' ' ' VAL . 87.7 mt -68.72 140.66 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 0.784 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.4 t -94.54 135.05 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.829 HD12 HG22 ' A' ' 65' ' ' ILE . 57.0 mt -117.85 33.65 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 76' ' ' VAL . 95.2 t -107.09 133.8 50.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.16 35.44 91.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 74' ' ' VAL . 11.5 m -130.32 144.14 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' PHE . 6.6 t -68.43 140.57 55.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' THR . 1.3 tt0 -38.64 -42.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -45.93 -46.9 16.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.596 ' HE1' HD23 ' A' ' 73' ' ' LEU . 37.3 t80 -58.43 -56.66 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -52.74 -46.78 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.19 -44.56 68.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -65.19 -50.01 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.559 ' CG2' HG21 ' A' ' 71' ' ' ILE . 32.5 t -55.01 -58.07 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 26' ' ' ILE . 78.1 mt -51.85 -27.33 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -83.72 -24.18 31.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' VAL . 22.0 m-20 -76.55 -42.38 43.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.617 ' HB ' HG22 ' A' ' 92' ' ' VAL . 70.9 p -40.66 161.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.608 ' O ' ' C ' ' A' ' 90' ' ' GLY . 3.0 mmpt? -134.27 -169.39 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.36 -83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -79.38 138.71 37.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.894 HG21 HD21 ' A' ' 22' ' ' LEU . 60.1 t -141.29 121.53 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.31 113.15 25.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 98.1 m-85 -106.46 117.16 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.3 t -95.17 92.36 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' A' ' 94' ' ' PHE . 2.9 mm -80.94 154.51 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -119.33 102.89 0.94 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -110.26 136.52 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 2.1 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.229 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 98' ' ' ARG . 2.1 tt0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.604 HD13 ' HA2' ' A' ' 97' ' ' GLY . 2.0 mm? -94.38 110.82 22.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.5 p90 -132.43 134.06 24.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.03 16.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.804 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' PHE . 21.4 t -123.52 126.14 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.39 138.51 31.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -141.89 138.25 31.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 1.8 mt-10 -108.12 111.44 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 47.7 mttt -42.03 153.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.784 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -123.39 176.59 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.51 -29.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -116.77 47.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 61.85 -148.11 47.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.723 HD21 HG21 ' A' ' 92' ' ' VAL . 7.5 mt -66.84 -57.55 6.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.1 47.97 2.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.585 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 4.3 pt -138.2 155.21 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -112.9 147.25 37.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.592 HG21 HD11 ' A' ' 85' ' ' LEU . 2.5 pt -121.33 172.42 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -150.3 142.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.7 111.23 4.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.8 mmm -133.23 160.08 38.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.25 113.33 3.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.3 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -127.6 97.15 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 29' ' ' MET . 4.1 tp -55.0 113.67 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -91.95 117.05 5.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 73' ' ' LEU . 21.1 mm -82.82 97.12 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.468 ' HB2' HG23 ' A' ' 27' ' ' ILE . 90.8 m-85 -95.55 164.19 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.8 t -90.87 114.74 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -65.38 -43.06 91.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.719 ' HA ' HG22 ' A' ' 61' ' ' VAL . 6.4 t -170.55 179.36 3.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.3 t -130.49 129.89 64.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 m -57.9 137.04 57.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -74.29 107.01 6.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.18 29.58 12.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.46 -154.85 31.4 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.784 ' HB2' ' CG ' ' A' ' 18' ' ' ASP . . . -90.97 -44.34 9.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.585 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -71.19 -37.75 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -64.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -45.37 -45.58 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -49.32 -56.68 8.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 93.43 0.89 66.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.59 -68.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.339 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.7 mt -68.08 126.61 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 6.4 mm-40 -113.38 175.35 5.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' A' ' 46' ' ' THR . 61.7 t -78.07 149.0 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.5 m-80 77.68 -0.41 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.523 ' OD2' HG21 ' A' ' 96' ' ' ILE . 9.7 m-20 -63.3 166.4 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 11.6 tt0 -125.69 122.01 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.792 HG21 HD12 ' A' ' 73' ' ' LEU . 5.8 mt -87.88 91.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.603 HG21 ' CD1' ' A' ' 10' ' ' LEU . 81.0 t -68.89 -37.01 76.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.8 tt0 -151.02 149.42 29.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.68 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -134.02 109.57 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ARG . 1.7 m-20 62.63 12.46 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.74 -12.49 25.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 55.7 mt -86.23 127.25 40.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.753 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.82 118.7 17.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.792 HD12 HG21 ' A' ' 65' ' ' ILE . 17.3 mt -102.99 17.62 23.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -112.84 142.12 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.437 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 70.04 24.9 76.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.891 HG21 ' CD1' ' A' ' 80' ' ' PHE . 3.0 m -126.25 154.12 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 0.729 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 80' ' ' PHE . 10.1 t -67.95 140.25 56.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 77' ' ' THR . 1.3 tm0? -36.71 -45.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.52 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.891 ' CD1' HG21 ' A' ' 76' ' ' VAL . 15.5 t80 -38.55 -53.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.514 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -54.75 -58.53 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.45 -52.37 4.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' ASN . 86.9 m -50.83 -54.23 25.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.68 HG12 HG11 ' A' ' 68' ' ' VAL . 95.7 t -50.68 -60.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.592 HD11 HG21 ' A' ' 26' ' ' ILE . 45.9 mt -55.17 -24.02 24.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 0.4 OUTLIER -85.74 -25.1 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' THR . 3.2 m-80 -82.83 -41.05 19.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 84' ' ' VAL . 25.5 p -38.93 159.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.619 ' O ' ' C ' ' A' ' 90' ' ' GLY . 26.1 mtmt -131.34 -174.14 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.38 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -76.95 138.11 39.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.723 HG21 HD21 ' A' ' 22' ' ' LEU . 48.9 t -142.29 123.47 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -95.57 115.16 27.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.592 ' CD1' HG22 ' A' ' 68' ' ' VAL . 99.3 m-85 -109.77 123.23 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 95' ' ' VAL . 3.6 t -99.09 92.69 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.596 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.6 mm -79.55 151.73 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.604 ' HA2' HD13 ' A' ' 10' ' ' LEU . . . -116.97 104.7 1.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -97.86 142.99 28.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 6.8 pt-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.26 110.23 22.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 7.1 p90 -124.36 134.53 25.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 122.23 7.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.426 HG11 HG13 ' A' ' 59' ' ' ILE . 55.1 t -111.52 123.48 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.55 ' CG ' ' NE ' ' A' ' 93' ' ' ARG . 3.4 mt-10 -85.2 135.18 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.642 HD22 ' HB1' ' A' ' 52' ' ' ALA . 2.9 mt -134.74 144.79 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.5 mt-10 -111.83 105.37 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 41.3 mttt -38.46 156.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' GLY . 24.8 m-20 -123.18 177.54 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -47.5 -23.6 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.71 -24.69 14.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.68 -135.63 9.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.63 HD22 ' HZ ' ' A' ' 94' ' ' PHE . 53.6 mt -57.63 -55.53 33.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 0.794 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' ' 24' ' ' ILE . . . 81.77 50.82 4.79 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.716 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 3.4 pt -153.07 156.86 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -110.09 143.48 40.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.029 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.845 HG21 HD11 ' A' ' 85' ' ' LEU . 1.5 pt -121.66 160.6 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.608 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -138.6 141.75 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.64 114.57 5.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.713 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.3 mmm -133.26 154.86 50.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.603 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -95.27 104.92 3.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -124.84 97.23 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.713 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -51.18 131.55 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.442 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.33 130.17 9.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.513 HG13 ' HB2' ' A' ' 81' ' ' ALA . 12.3 mm -94.86 102.55 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.608 ' HB2' HG23 ' A' ' 27' ' ' ILE . 83.4 m-85 -102.62 164.2 11.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 61' ' ' VAL . 25.2 t -88.78 102.72 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -57.48 -39.4 76.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.61 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.2 t -170.66 179.49 3.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.415 ' N ' ' OG1' ' A' ' 46' ' ' THR . 91.9 t -130.33 125.6 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -59.86 133.01 55.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.86 113.73 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' NH1' ' A' ' 55' ' ' ARG . . . 88.36 29.35 19.75 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.13 -164.42 32.33 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.642 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -79.75 -57.47 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.716 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -59.27 -34.38 72.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.8 -58.64 5.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 50' ' ' GLY . 69.7 mtm-85 -49.15 -49.82 40.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -54.88 -53.41 55.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.06 -30.08 7.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.519 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -46.0 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.426 HG13 HG11 ' A' ' 13' ' ' VAL . 14.6 mt -67.87 129.78 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -122.64 164.25 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.61 HG22 ' HA ' ' A' ' 46' ' ' THR . 96.8 t -66.28 151.27 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 13.9 m-80 78.62 -1.46 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.466 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 18.1 m-20 -64.36 170.86 3.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 35.9 tt0 -128.65 115.69 18.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.705 HG22 HD12 ' A' ' 73' ' ' LEU . 27.2 mt -84.47 91.92 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.55 -38.13 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 6.6 tt0 -144.91 160.15 41.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 84' ' ' VAL . 1.1 t -144.66 117.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.02 20.18 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.59 -28.11 11.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 56.2 mt -66.02 136.3 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -87.02 129.25 34.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.97 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.705 HD12 HG22 ' A' ' 65' ' ' ILE . 55.9 mt -113.62 42.04 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.914 ' O ' HG13 ' A' ' 76' ' ' VAL . 61.9 t -111.79 144.03 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.65 44.46 23.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.914 HG13 ' O ' ' A' ' 74' ' ' VAL . 9.8 m -133.08 143.37 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 78' ' ' GLN . 9.8 t -67.81 140.28 56.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' THR . 3.4 tt0 -37.45 -47.37 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -52.98 4.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -52.25 -60.09 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.513 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -51.85 -48.18 64.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.35 62.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.235 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.5 m -62.18 -46.62 88.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.7 HG12 HG11 ' A' ' 68' ' ' VAL . 69.5 t -57.77 -55.76 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.845 HD11 HG21 ' A' ' 26' ' ' ILE . 48.5 mt -53.62 -23.02 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -87.77 -25.26 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 88' ' ' THR . 13.9 m-20 -80.25 -37.94 31.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.482 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 15.3 p -38.14 157.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.2 OUTLIER -127.23 -166.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.523 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -27.57 -80.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -83.62 140.63 32.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.622 HG21 HD21 ' A' ' 22' ' ' LEU . 40.2 t -141.47 128.82 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.55 ' NE ' ' CG ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -99.94 104.33 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.63 ' HZ ' HD22 ' A' ' 22' ' ' LEU . 95.5 m-85 -97.69 117.7 32.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.1 t -93.87 93.83 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.492 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.4 mm -80.12 155.88 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.02 111.74 1.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -121.45 152.16 39.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 110.347 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -70.75 164.28 25.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 0.802 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -61.66 148.48 42.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.73 131.59 1.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -163.06 90.5 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -120.41 100.3 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.91 75.02 0.43 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.486 1.117 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -117.86 146.99 43.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.4 tt0 -79.55 95.48 5.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.479 HD23 ' HA2' ' A' ' 97' ' ' GLY . 42.1 mt -93.78 110.91 22.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.2 p90 -131.0 135.84 27.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.1 Cg_endo -75.07 134.93 18.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG11 HG13 ' A' ' 59' ' ' ILE . 49.5 t -127.19 119.57 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.22 135.76 35.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.553 ' CD1' HD12 ' A' ' 59' ' ' ILE . 1.8 mt -136.75 133.99 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -101.43 117.57 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 63.7 mttt -53.32 152.08 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.734 ' OD2' ' HB2' ' A' ' 52' ' ' ALA . 5.7 m-20 -129.51 177.12 7.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 20' ' ' ASP . 0.9 OUTLIER -38.95 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.7 t70 -120.8 51.08 1.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 54.33 -136.07 43.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -77.31 -53.52 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.66 48.49 2.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.749 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -137.77 155.28 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.31 149.17 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.034 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.697 HG21 HD11 ' A' ' 85' ' ' LEU . 2.5 pt -124.75 161.61 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.592 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -135.97 141.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.9 115.22 4.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.82 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.2 mmt -129.85 153.64 48.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.611 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -100.92 103.97 2.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.459 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -86.32 139.99 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.63 75.35 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.47 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -87.38 114.64 24.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.607 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 26.7 m-20 -116.93 61.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 34' ' ' ASP . . . 78.11 -79.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -128.12 0.96 6.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.11 28.03 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 16.7 pt-20 -73.86 150.19 41.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -121.94 97.04 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -54.0 130.48 37.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -112.7 119.3 4.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.721 HG13 ' HB2' ' A' ' 81' ' ' ALA . 27.3 mm -84.56 106.97 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.592 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.7 m-85 -107.71 163.08 13.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 61' ' ' VAL . 19.8 t -88.01 108.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -61.3 -44.82 96.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.698 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.1 t -169.04 177.48 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.725 HG22 HG22 ' A' ' 24' ' ' ILE . 98.6 t -130.26 128.47 64.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 m -56.95 132.32 52.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.68 95.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.89 29.48 5.81 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.2 -179.17 41.37 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.734 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . . . -67.35 -42.98 82.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.749 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -72.46 -33.44 67.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.78 -64.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -42.27 -45.96 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -52.75 -56.69 13.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.99 -31.2 8.19 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.509 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.45 -69.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.791 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.553 HD12 ' CD1' ' A' ' 15' ' ' LEU . 90.2 mt -66.37 127.43 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.34 174.45 6.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.698 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.1 t -74.45 150.27 7.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.3 m-80 76.66 0.94 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 9.2 m-20 -62.79 164.21 8.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 30.0 tt0 -124.77 110.8 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.595 ' CG2' HG23 ' A' ' 68' ' ' VAL . 8.0 mt -82.13 86.96 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.456 HG21 HD22 ' A' ' 10' ' ' LEU . 51.3 t -63.74 -39.85 86.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.5 tt0 -143.0 158.74 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.647 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -144.15 118.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.537 ' OD2' HG13 ' A' ' 92' ' ' VAL . 2.8 m-20 52.46 21.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.413 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.51 -26.62 17.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.583 HG21 ' CG2' ' A' ' 84' ' ' VAL . 41.6 mt -67.18 136.11 27.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.73 128.62 36.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.996 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.526 HD23 ' HE1' ' A' ' 80' ' ' PHE . 34.1 mt -112.86 36.95 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.693 ' O ' HG13 ' A' ' 76' ' ' VAL . 91.4 t -106.25 138.59 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 55.15 39.78 71.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.693 HG13 ' O ' ' A' ' 74' ' ' VAL . 12.4 m -130.52 143.5 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.469 HG23 ' HB2' ' A' ' 79' ' ' ASN . 6.0 t -67.68 144.2 55.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 77' ' ' THR . 22.5 tt0 -37.7 -49.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.469 ' HB2' HG23 ' A' ' 77' ' ' THR . 95.3 m-20 -40.49 -57.67 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.618 ' CD1' HG21 ' A' ' 76' ' ' VAL . 50.4 t80 -49.88 -57.33 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.721 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.57 -45.58 73.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.93 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.5 m -61.74 -46.79 88.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.593 HG12 HG11 ' A' ' 68' ' ' VAL . 34.2 t -58.04 -58.24 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.697 HD11 HG21 ' A' ' 26' ' ' ILE . 51.4 mt -52.13 -22.17 3.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -22.72 22.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' VAL . 4.5 m-80 -84.04 -32.45 24.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.575 ' HB ' HG21 ' A' ' 92' ' ' VAL . 12.2 p -38.73 158.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.559 ' O ' ' C ' ' A' ' 90' ' ' GLY . 33.1 mtmt -128.75 -173.61 3.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -22.5 -84.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.19 134.69 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.575 HG21 ' HB ' ' A' ' 88' ' ' THR . 17.8 t -132.05 138.36 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.14 106.01 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.647 ' CD1' HG22 ' A' ' 68' ' ' VAL . 97.7 m-85 -100.35 121.93 42.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.4 t -99.81 93.88 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.591 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.4 mm -79.82 156.48 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.614 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -122.73 105.86 0.98 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.798 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -101.58 149.04 24.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 110.282 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 119.49 13.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -79.03 157.27 76.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 179.75 5.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 t -164.39 80.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 129.22 156.76 8.98 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.62 12.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 95.5 p -125.08 146.64 49.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -84.87 147.4 26.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.052 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' SER . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -84.38 163.11 19.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 110.035 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 m -134.35 -59.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.5 166.39 23.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.59 147.89 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 109.941 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.79 171.86 11.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.75 -81.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.807 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -109.75 146.6 34.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.3 tt0 -79.52 95.5 5.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.532 HD23 ' HA2' ' A' ' 97' ' ' GLY . 51.8 mt -94.5 111.21 22.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.06 134.26 25.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.96 17.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' PHE . 37.4 t -125.97 122.14 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -86.34 137.39 32.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 53' ' ' ALA . 3.3 mt -139.85 135.92 33.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.9 mt-10 -105.9 105.92 16.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 89' ' ' LYS . 41.7 mttt -39.12 158.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.703 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -128.1 176.43 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 18' ' ' ASP . 8.6 t70 -119.57 51.21 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 57.93 -146.44 39.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.72 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -70.28 -56.37 6.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.54 43.93 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.825 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -136.45 154.69 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 0.764 . . . . 0.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.3 m -111.55 146.85 36.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.683 HG21 HD11 ' A' ' 85' ' ' LEU . 2.6 pt -120.37 177.95 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.568 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -154.67 143.75 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.93 114.47 5.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.7 mmm -132.11 160.73 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.79 114.73 5.04 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.427 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.4 t -96.26 140.63 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.21 52.37 1.67 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -65.14 101.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 12.8 m-20 -87.81 47.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 34' ' ' ASP . . . 76.32 -77.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.2 -22.35 6.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.0 mt -96.85 59.74 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 13.0 pt-20 -98.76 154.48 17.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -127.5 96.89 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.8 tp -53.22 125.8 18.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -107.32 122.08 6.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.462 HG13 ' HB2' ' A' ' 81' ' ' ALA . 16.0 mm -83.64 115.09 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.568 ' HB2' HG23 ' A' ' 27' ' ' ILE . 91.9 m-85 -114.57 164.08 14.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.849 HG23 ' OD1' ' A' ' 63' ' ' ASP . 14.6 t -89.31 104.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -56.1 -46.29 79.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.603 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.2 t -170.25 171.78 6.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.167 . . . . 0.0 110.348 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.813 HG22 HG22 ' A' ' 24' ' ' ILE . 76.5 t -123.29 121.89 63.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 m -51.26 142.71 12.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -69.94 103.01 2.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.79 14.97 47.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.93 177.17 31.85 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -68.96 -37.57 78.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.825 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -78.28 -24.23 46.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.52 -61.74 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' NH2' ' OD2' ' A' ' 18' ' ' ASP . 25.2 mtm105 -52.79 -39.08 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -47.98 -54.4 13.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.458 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 89.15 -5.73 84.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.48 -67.38 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 15' ' ' LEU . 6.8 mt -67.93 129.01 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.462 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 10.4 mm-40 -115.51 177.82 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.603 HG22 ' HA ' ' A' ' 46' ' ' THR . 61.6 t -83.17 146.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.2 m-80 77.46 10.4 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.849 ' OD1' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -71.06 175.51 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.415 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 15.9 tt0 -131.11 113.34 13.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.521 ' CG2' HG23 ' A' ' 68' ' ' VAL . 9.4 mt -84.13 87.27 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.453 HG21 HD22 ' A' ' 10' ' ' LEU . 47.8 t -65.43 -39.57 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 9.4 tt0 -144.2 157.68 44.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.634 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.07 118.47 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 52.31 21.87 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.409 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.32 -27.56 15.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.582 HD12 HG13 ' A' ' 84' ' ' VAL . 70.3 mt -66.06 136.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.1 t -91.54 115.16 27.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.036 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.613 HD21 HG11 ' A' ' 84' ' ' VAL . 38.0 mt -98.63 35.88 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.899 ' O ' HG13 ' A' ' 76' ' ' VAL . 94.3 t -102.86 143.15 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.23 45.8 27.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 74' ' ' VAL . 5.8 m -132.31 148.37 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.804 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.466 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 t -68.72 142.5 54.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 77' ' ' THR . 23.3 tt0 -36.69 -48.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -44.4 -66.19 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.723 ' CD2' HG21 ' A' ' 76' ' ' VAL . 70.1 t80 -36.1 -57.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -55.9 -48.14 76.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' ASN . . . -52.38 -43.43 64.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 42.8 m -64.59 -52.01 59.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.613 HG11 HD21 ' A' ' 73' ' ' LEU . 91.5 t -51.75 -55.53 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.683 HD11 HG21 ' A' ' 26' ' ' ILE . 78.8 mt -53.56 -28.25 30.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -84.87 -21.69 29.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 88' ' ' THR . 5.8 m-80 -78.69 -48.15 15.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.617 ' HB ' HG22 ' A' ' 92' ' ' VAL . 15.9 p -39.83 160.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.625 ' O ' ' C ' ' A' ' 90' ' ' GLY . 13.7 mtmt -129.8 -174.9 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.625 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -15.09 -82.42 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -76.16 136.37 39.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.787 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 61.3 t -140.65 129.5 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 104.6 15.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.787 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 98.5 m-85 -101.14 121.21 41.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -99.34 92.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.686 HG23 ' OD2' ' A' ' 63' ' ' ASP . 2.9 mm -80.14 154.05 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.607 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -119.67 106.28 1.21 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.807 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -100.06 146.61 26.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.293 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.06 114.44 10.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -73.58 157.34 87.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.38 15.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.46 76.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 135.54 173.89 13.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -179.2 4.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.6 -58.77 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 t -57.21 125.78 24.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.133 . . . . 0.0 111.034 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 p -78.68 163.14 25.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.45 165.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.26 149.84 21.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.959 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.94 162.24 20.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -44.86 107.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.05 72.46 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.809 HD13 ' C ' ' A' ' 98' ' ' ARG . 1.6 mm? -110.89 152.2 26.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 7.4 pt-20 -100.79 111.62 23.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 96' ' ' ILE . 0.9 OUTLIER -96.57 111.04 23.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 5.3 p90 -126.43 135.4 27.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.4 Cg_endo -75.01 131.85 14.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' PHE . 46.7 t -123.67 118.24 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.31 128.99 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 15' ' ' LEU . 1.8 mt -128.31 127.52 42.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -94.37 98.63 11.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 90' ' ' GLY . 2.5 mtpt -39.05 155.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.658 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -120.72 175.95 5.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -48.44 -22.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.71 -24.69 13.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 125.21 -135.45 9.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.804 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 13.9 mt -74.09 -53.18 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.07 53.15 3.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.749 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -149.69 163.55 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.785 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.6 m -116.35 148.55 40.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.598 HG21 HD11 ' A' ' 85' ' ' LEU . 1.3 pt -126.25 159.34 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -138.13 141.25 38.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.65 117.32 5.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.722 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.3 mmm -133.83 155.37 49.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.601 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -96.02 107.23 3.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.8 t -88.26 143.1 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.13 70.03 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.6 99.58 11.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -97.27 36.9 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 52.1 52.93 13.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.63 -45.36 0.6 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.7 mt -104.76 61.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.753 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -102.25 142.28 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HD2' HG12 ' A' ' 74' ' ' VAL . 1.6 mmtt -126.71 96.88 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -50.57 129.85 23.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.09 130.08 9.42 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.587 HG13 ' HB2' ' A' ' 81' ' ' ALA . 15.7 mm -93.26 96.86 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.474 ' HB2' HG23 ' A' ' 27' ' ' ILE . 89.7 m-85 -98.67 163.77 12.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.523 HG21 ' OD2' ' A' ' 63' ' ' ASP . 30.7 t -92.8 114.41 29.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -67.77 -39.51 84.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.711 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.6 t -170.45 173.02 5.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 24' ' ' ILE . 78.4 t -124.11 124.23 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -50.79 149.65 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -79.07 108.79 12.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.06 8.82 68.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.87 -172.72 6.65 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -73.43 -59.33 2.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.749 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -56.4 -28.27 58.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.34 -63.37 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -48.28 -41.09 27.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -56.71 -56.95 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.53 -29.02 10.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.101 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.51 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -51.4 -70.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.75 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.412 HG23 ' OD2' ' A' ' 63' ' ' ASP . 11.3 mt -67.35 133.4 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -129.64 149.06 51.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.711 HG22 ' HA ' ' A' ' 46' ' ' THR . 96.2 t -40.43 149.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 8.0 m-80 76.51 1.04 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.972 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -63.44 144.03 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 27.0 tt0 -110.4 108.67 18.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.637 ' CG2' HG23 ' A' ' 68' ' ' VAL . 22.9 mt -80.54 85.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.19 -38.62 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.3 tt0 -143.5 157.29 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.652 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.72 118.76 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 51.97 20.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.407 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.92 -27.84 12.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.546 HD12 HG13 ' A' ' 84' ' ' VAL . 63.7 mt -66.37 136.09 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -91.84 129.07 37.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.618 HD23 ' HE1' ' A' ' 80' ' ' PHE . 51.0 mt -112.91 39.9 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.659 ' O ' HG13 ' A' ' 76' ' ' VAL . 99.4 t -111.05 138.0 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.24 38.87 88.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 74' ' ' VAL . 10.5 m -132.83 146.98 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' GLN . 6.0 t -67.77 140.43 56.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' THR . 2.1 tt0 -37.5 -46.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -43.55 -54.71 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.63 ' CD1' HG21 ' A' ' 76' ' ' VAL . 49.1 t80 -50.14 -57.11 8.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.587 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.33 -49.38 69.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.17 56.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.3 m -62.66 -51.52 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.448 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 88' ' ' THR . 72.7 t -52.77 -55.04 13.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.598 HD11 HG21 ' A' ' 26' ' ' ILE . 53.6 mt -53.98 -25.54 21.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -87.59 -19.96 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -80.72 -38.55 28.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 84' ' ' VAL . 80.3 p -42.18 164.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.554 ' O ' ' C ' ' A' ' 90' ' ' GLY . 3.0 mtmp? -132.81 -168.32 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -23.58 -82.92 0.01 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.58 135.83 34.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 0.728 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 18.9 t -135.91 139.92 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 107.79 18.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CD1' HG22 ' A' ' 68' ' ' VAL . 97.8 m-85 -102.07 122.48 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.4 t -99.27 94.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.972 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.9 mm -79.52 153.22 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.479 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -124.57 105.1 0.84 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.809 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -115.31 156.8 24.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.462 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -70.42 133.33 46.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' HG2' ' HB3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -125.91 158.22 66.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 132.58 15.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.8 p -133.49 78.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.91 -146.04 17.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.29 6.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.2 t -135.41 160.05 39.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.73 144.57 26.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.74 158.88 26.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.798 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.58 159.79 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.29 88.81 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.11 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.87 173.68 11.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -56.91 -60.56 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 37.98 62.95 0.96 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.84 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -123.69 148.34 46.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -80.07 94.74 6.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -92.98 110.48 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 25.1 p90 -131.22 136.82 29.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.2 Cg_endo -75.0 126.98 10.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 59' ' ' ILE . 42.4 t -116.0 118.11 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.87 139.41 34.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.632 ' CD1' HD12 ' A' ' 59' ' ' ILE . 6.5 mt -141.99 143.2 33.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.76 108.27 17.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 26.9 mttt -40.06 156.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.006 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -123.44 176.73 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -50.3 -20.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -106.2 -22.86 12.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 125.18 -139.76 11.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.654 HD21 HG21 ' A' ' 92' ' ' VAL . 23.8 mt -69.31 -54.93 12.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.96 47.04 5.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.591 ' CG2' ' CB ' ' A' ' 53' ' ' ALA . 10.2 pt -138.54 152.28 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 0.8 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.15 143.6 42.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.505 HG21 HD11 ' A' ' 85' ' ' LEU . 1.7 pt -120.31 175.73 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.526 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -153.13 137.63 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.78 112.19 4.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.449 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.9 mmm -133.29 160.83 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -106.1 111.69 3.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.6 t -92.99 141.07 15.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.23 72.88 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.93 106.13 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.734 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -99.08 37.25 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 50.59 56.86 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 149.79 -48.49 0.59 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.8 mt -102.13 61.86 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -101.69 143.75 31.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.74 97.01 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 76' ' ' VAL . 6.1 tp -51.29 124.13 11.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -105.63 118.85 5.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 81' ' ' ALA . 20.5 mm -83.54 101.74 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.526 ' HB2' HG23 ' A' ' 27' ' ' ILE . 91.1 m-85 -100.22 162.22 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' ASP . 13.0 t -90.71 102.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -54.34 -44.23 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.72 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.2 t -170.83 177.84 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 110.401 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.419 ' N ' ' OG1' ' A' ' 46' ' ' THR . 74.8 t -125.91 129.5 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -58.0 134.01 56.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -70.75 106.07 3.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.55 29.07 10.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.72 -170.08 35.59 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 1.006 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -72.3 -52.92 14.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.591 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . . . -61.76 -40.0 93.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -61.6 -68.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -43.22 -47.67 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -49.52 -56.59 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 91.35 8.93 63.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' HG3' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -91.07 -67.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 0.788 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 94' ' ' PHE . 13.7 mt -68.79 118.81 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 22.2 mm-40 -104.84 174.83 5.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.72 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.1 t -76.81 150.94 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 7.9 m-80 75.75 1.46 3.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 96' ' ' ILE . 19.3 m-20 -65.0 152.41 43.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -112.94 111.22 21.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.536 ' CG2' HD12 ' A' ' 73' ' ' LEU . 23.9 mt -78.66 91.3 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.6 t -68.6 -38.67 79.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 10.4 tt0 -145.77 156.82 43.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.627 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -141.95 116.75 5.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 53.35 20.39 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.413 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.75 -29.23 9.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.599 HD12 HG13 ' A' ' 84' ' ' VAL . 61.3 mt -66.13 137.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.08 125.05 36.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.662 HD23 ' HE1' ' A' ' 80' ' ' PHE . 66.7 mt -108.55 39.96 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.843 ' O ' HG13 ' A' ' 76' ' ' VAL . 90.7 t -110.41 142.04 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.36 46.16 44.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.843 HG13 ' O ' ' A' ' 74' ' ' VAL . 4.4 m -135.17 151.54 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 80' ' ' PHE . 7.0 t -68.59 140.46 55.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -39.12 -41.12 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.26 -58.43 6.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.729 ' CD1' HG21 ' A' ' 76' ' ' VAL . 51.9 t80 -42.76 -56.64 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.52 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -54.09 -48.8 70.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.18 -44.08 64.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.3 m -63.02 -52.96 60.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 88' ' ' THR . 72.3 t -52.66 -54.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.505 HD11 HG21 ' A' ' 26' ' ' ILE . 38.2 mt -55.48 -23.65 27.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 mtp85 -89.92 -20.21 23.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' THR . 3.4 m-80 -79.16 -41.33 28.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 84' ' ' VAL . 68.7 p -44.12 168.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.424 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.633 ' O ' ' C ' ' A' ' 90' ' ' GLY . 15.5 mtmt -138.66 -171.14 3.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.633 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -14.5 -84.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.27 139.41 35.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.654 HG21 HD21 ' A' ' 22' ' ' LEU . 44.3 t -141.55 128.16 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -99.88 109.69 22.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.649 ' HB2' HD11 ' A' ' 59' ' ' ILE . 98.5 m-85 -104.08 120.37 40.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 95' ' ' VAL . 3.2 t -96.51 95.5 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.8 mm -82.59 157.63 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.555 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -119.56 103.87 1.0 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.783 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -95.46 153.88 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.07 114.15 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -72.3 157.93 88.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.25 8.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.7 t -164.37 77.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.63 162.25 9.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 169.41 22.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.8 147.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.028 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 71.1 m -66.35 140.85 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.59 162.67 13.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 109.978 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 51.96 99.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.2 -100.95 0.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -66.43 163.73 17.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.2 153.1 31.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.046 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.48 68.71 0.77 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.852 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -121.07 162.47 19.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.258 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.4 tt0 -96.06 96.16 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.603 HD22 ' N ' ' A' ' 10' ' ' LEU . 1.2 mm? -92.9 111.53 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.2 p90 -133.2 134.71 24.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.2 Cg_endo -74.97 135.93 19.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG11 HG13 ' A' ' 59' ' ' ILE . 46.6 t -128.28 119.98 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.54 133.61 35.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.532 ' CD1' HD12 ' A' ' 59' ' ' ILE . 1.7 mt -134.29 134.86 42.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.48 122.77 44.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 57.3 mttt -60.99 150.96 31.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.872 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -125.34 175.44 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.29 -28.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.0 t70 -118.04 51.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 56.01 -142.94 37.81 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 92' ' ' VAL . 1.9 mt -71.14 -57.09 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.6 50.36 1.69 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.765 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -142.98 157.96 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 m -110.13 153.97 23.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.491 HG21 HD11 ' A' ' 85' ' ' LEU . 2.1 pt -132.67 155.93 41.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.583 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -133.77 141.19 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.83 117.38 5.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.74 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.1 mmm -133.71 155.26 50.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.59 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -97.26 104.0 2.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.42 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -84.06 139.86 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.22 71.17 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.57 100.38 12.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.69 23.92 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 63.16 46.84 4.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.5 -36.23 0.59 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.2 24.36 11.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.777 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.81 133.88 43.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -126.91 96.9 4.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -47.66 131.57 14.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.42 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -115.35 121.26 5.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.404 HG13 ' HB2' ' A' ' 81' ' ' ALA . 13.4 mm -85.91 104.46 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.797 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.583 ' HB2' HG23 ' A' ' 27' ' ' ILE . 90.0 m-85 -104.77 163.84 12.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.7 t -88.09 110.04 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -63.51 -41.58 98.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.607 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.5 t -170.14 177.83 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 24' ' ' ILE . 79.9 t -131.63 122.57 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -54.28 133.83 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.36 95.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.55 16.09 12.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.25 173.66 54.38 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.872 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -62.82 -45.66 91.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.765 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -66.48 -34.09 77.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -67.48 -59.76 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -46.76 -48.74 20.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -53.17 -51.81 60.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.59 -32.39 5.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -48.13 -67.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.55 HG13 HG11 ' A' ' 13' ' ' VAL . 70.2 mt -67.29 130.25 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -123.5 168.04 13.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.607 HG22 ' HA ' ' A' ' 46' ' ' THR . 82.8 t -69.97 152.35 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.6 m-80 77.34 -0.6 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 26.5 m-20 -65.18 169.3 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 37.2 tt0 -129.3 112.29 13.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.515 ' CG2' HD12 ' A' ' 73' ' ' LEU . 8.5 mt -80.93 89.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.519 HG21 HD12 ' A' ' 10' ' ' LEU . 57.0 t -66.67 -38.68 82.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.4 tt0 -145.66 158.59 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.83 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -143.3 118.66 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 52.05 21.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.407 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.71 -27.89 12.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.557 HG21 ' CG2' ' A' ' 84' ' ' VAL . 62.6 mt -65.7 136.71 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.3 t -92.12 121.33 33.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.66 HD23 ' HE2' ' A' ' 80' ' ' PHE . 78.7 mt -104.7 37.47 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 76' ' ' VAL . 94.0 t -107.3 140.04 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 54.2 42.42 72.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 74' ' ' VAL . 10.2 m -135.73 144.21 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 78' ' ' GLN . 6.0 t -67.92 142.83 55.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.392 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -36.82 -48.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -41.48 -62.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.725 ' CD2' HG21 ' A' ' 76' ' ' VAL . 51.4 t80 -43.49 -52.75 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -55.06 -55.91 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -41.71 -49.84 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.516 HG22 ' ND2' ' A' ' 87' ' ' ASN . 52.9 m -55.79 -52.78 62.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.83 HG12 HG11 ' A' ' 68' ' ' VAL . 90.4 t -52.09 -53.76 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 26' ' ' ILE . 24.4 mt -61.62 -20.66 63.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 3.9 ttt180 -87.99 -26.73 22.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.516 ' ND2' HG22 ' A' ' 83' ' ' THR . 19.7 m-80 -81.16 -38.2 27.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.471 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 2.2 p -37.18 155.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.599 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.4 mptt -126.37 -175.48 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.599 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.12 -80.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -82.36 141.31 32.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 0.806 . . . . 0.0 109.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.572 HG21 HD21 ' A' ' 22' ' ' LEU . 44.5 t -141.63 131.13 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.46 105.42 16.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.624 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 95.6 m-85 -99.91 122.24 42.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.7 t -100.04 93.37 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.598 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.6 mm -79.91 157.77 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.597 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -123.5 103.96 0.82 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.852 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -101.88 154.36 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.2 125.72 27.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -81.19 157.92 70.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 124.16 8.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.8 m -150.86 88.71 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.95 -120.26 2.9 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 176.16 10.28 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.8 p -150.6 -58.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.95 104.35 16.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.933 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 p -98.76 145.19 27.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.029 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -74.48 151.16 39.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.47 -143.34 4.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.03 -64.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -72.18 136.98 46.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.947 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.69 76.97 0.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.781 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -126.87 148.2 50.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.1 tt0 -81.46 94.74 6.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -93.5 110.76 22.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 22.3 p90 -131.58 133.7 24.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.86 15.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' PHE . 24.1 t -122.19 117.6 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -81.74 119.79 24.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.572 ' CD1' HD12 ' A' ' 59' ' ' ILE . 4.0 mt -119.97 137.93 53.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -105.37 108.48 20.01 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 31.5 mttt -38.85 156.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.812 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 14.4 m-20 -124.07 176.22 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -48.47 -22.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.8 -24.01 13.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.93 -131.77 8.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.7 HD22 ' HZ ' ' A' ' 94' ' ' PHE . 17.0 mt -69.05 -53.68 19.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.07 48.44 6.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.434 1.084 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.605 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 5.7 pt -145.35 157.99 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.41 150.94 33.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.618 HG21 HD11 ' A' ' 85' ' ' LEU . 1.8 pt -128.54 167.92 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -145.55 142.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.56 113.88 4.74 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.2 mmm -132.51 161.95 32.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.82 108.62 2.78 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.557 1.161 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.469 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.2 t -90.87 139.72 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.92 75.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.59 103.98 13.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.314 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -98.34 40.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 47.53 56.36 7.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 156.88 -52.45 0.42 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.7 mt -102.06 61.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -98.16 139.98 33.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -127.62 97.01 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.4 tp -52.11 122.94 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -105.12 118.92 6.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.473 HG13 ' HB2' ' A' ' 81' ' ' ALA . 17.5 mm -83.01 109.45 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.484 ' HB2' HG23 ' A' ' 27' ' ' ILE . 94.3 m-85 -108.33 163.53 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 61' ' ' VAL . 12.5 t -88.49 109.19 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -62.09 -41.95 98.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.713 ' HA ' HG22 ' A' ' 61' ' ' VAL . 3.2 t -169.99 178.6 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.438 ' N ' ' OG1' ' A' ' 46' ' ' THR . 95.9 t -128.39 127.31 67.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -57.3 134.95 56.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.427 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -74.69 99.85 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.06 41.47 2.61 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.2 -164.4 20.26 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.812 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -81.35 -51.44 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.234 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.605 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -61.63 -42.9 99.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -61.17 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtm-85 -45.35 -50.81 11.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.37 -51.48 54.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.37 9.07 70.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.457 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -85.65 -66.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.572 HD12 ' CD1' ' A' ' 15' ' ' LEU . 22.1 mt -68.49 119.81 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 6.4 mm-40 -106.7 174.95 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.5 t -78.87 148.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.5 m-80 77.03 0.83 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.437 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 18.5 m-20 -63.88 172.24 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 34.0 tt0 -129.41 116.35 18.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.677 ' CG2' HD12 ' A' ' 73' ' ' LEU . 44.6 mt -84.02 91.43 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.6 t -66.88 -45.21 88.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 2.5 tt0 -141.06 158.84 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.648 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.66 119.11 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.493 ' OD2' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER 53.81 19.7 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.412 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.11 -26.77 14.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.51 ' CD1' HG13 ' A' ' 84' ' ' VAL . 81.2 mt -66.71 147.45 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t -100.24 124.63 45.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.715 HD23 ' HE2' ' A' ' 80' ' ' PHE . 81.9 mt -107.16 36.68 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 76' ' ' VAL . 95.1 t -107.97 140.6 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.1 42.84 62.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 74' ' ' VAL . 12.8 m -132.43 148.41 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 4.8 t -68.72 142.89 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' THR . 7.9 tt0 -38.74 -45.98 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.504 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 88.4 m-20 -44.23 -62.01 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.715 ' HE2' HD23 ' A' ' 73' ' ' LEU . 78.7 t80 -42.22 -58.49 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.498 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -50.53 -41.64 54.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 79' ' ' ASN . . . -61.59 -39.86 92.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -68.29 -52.42 33.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.589 HG12 HG11 ' A' ' 68' ' ' VAL . 81.9 t -52.65 -54.85 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.618 HD11 HG21 ' A' ' 26' ' ' ILE . 70.3 mt -54.96 -26.88 39.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -85.45 -21.57 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -77.13 -41.83 40.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 84' ' ' VAL . 70.7 p -42.35 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.62 ' O ' ' C ' ' A' ' 90' ' ' GLY . 52.2 mmtt -137.67 -168.22 2.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.62 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.14 -85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.03 140.22 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.55 HG21 HD21 ' A' ' 22' ' ' LEU . 21.3 t -138.35 136.47 44.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.94 109.43 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.7 ' HZ ' HD22 ' A' ' 22' ' ' LEU . 99.4 m-85 -104.42 122.91 46.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 95' ' ' VAL . 5.5 t -100.78 93.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.595 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 mm -80.06 155.19 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.648 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -119.49 107.69 1.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.781 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -101.23 146.27 27.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 110.314 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.74 119.4 14.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -78.9 157.92 75.81 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.17 39.25 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.551 1.816 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.3 p 178.88 69.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.9 -178.14 48.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -58.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.3 m -158.62 162.82 37.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.4 m -113.41 140.66 47.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -117.73 147.26 43.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.82 167.6 29.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.25 179.48 20.75 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.07 155.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 p -155.11 178.46 10.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.59 -84.04 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.843 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -97.21 163.13 13.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.5 tt0 -101.46 99.43 9.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.475 HD12 HG21 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -93.87 111.01 22.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.087 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 14.2 p90 -131.26 131.97 23.38 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -75.03 125.21 9.16 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.569 1.826 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' PHE . 24.8 t -116.86 120.16 64.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.29 139.49 35.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.651 HD11 ' HA ' ' A' ' 53' ' ' ALA . 7.0 mt -141.4 138.25 32.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -104.19 110.46 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 27.1 mttt -40.39 155.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.883 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -122.33 176.44 5.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -49.65 -21.57 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -103.95 -23.02 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.3 -137.76 11.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.855 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 45.5 mt -62.48 -51.5 67.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 0.806 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 24' ' ' ILE . . . 80.71 55.18 3.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.79 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.2 pt -155.06 160.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 m -116.09 144.58 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.648 HG21 HD11 ' A' ' 85' ' ' LEU . 1.5 pt -123.01 163.16 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.669 HG23 ' HB2' ' A' ' 43' ' ' PHE . 4.9 tt -141.3 143.89 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -96.86 112.81 4.54 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.448 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -132.4 140.38 48.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.974 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.666 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -84.86 111.23 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.5 t -92.95 140.66 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 37.09 78.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.7 101.73 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -98.84 29.72 3.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.31 53.93 5.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.428 ' C ' HD12 ' A' ' 37' ' ' LEU . . . 148.79 -32.98 1.18 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 37' ' ' LEU . 4.0 mp -110.82 46.15 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -92.53 135.84 33.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -126.83 97.04 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.666 HD22 ' HA2' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -48.65 131.69 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.407 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.14 120.26 5.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.535 HG13 ' HB2' ' A' ' 81' ' ' ALA . 18.4 mm -84.07 104.7 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.669 ' HB2' HG23 ' A' ' 27' ' ' ILE . 94.0 m-85 -103.27 163.29 12.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 61' ' ' VAL . 28.5 t -91.2 106.1 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -61.6 -41.38 97.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.773 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.6 t -170.57 170.24 6.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.553 HG22 HG22 ' A' ' 24' ' ' ILE . 73.8 t -122.47 121.3 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.48 142.06 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.77 115.57 14.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.08 29.24 51.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.25 -155.5 31.21 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.883 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -86.31 -61.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.79 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -59.85 -25.11 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.41 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.3 tm0? -69.63 -60.86 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -49.07 -50.64 35.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.452 ' HB2' HD21 ' A' ' 15' ' ' LEU . 25.8 t0 -49.88 -56.52 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.33 -22.39 41.05 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.508 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 4.5 mmm180 -59.74 -65.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.648 HD12 ' CD1' ' A' ' 15' ' ' LEU . 33.5 mt -68.44 101.29 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.458 ' N ' ' OD2' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -98.41 171.94 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.773 HG22 ' HA ' ' A' ' 46' ' ' THR . 54.5 t -69.36 148.9 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.3 m-80 76.75 0.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.458 ' OD2' ' N ' ' A' ' 60' ' ' GLN . 12.0 m-20 -65.82 148.95 50.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 45.3 tt0 -110.76 113.26 25.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.545 ' CG2' HD12 ' A' ' 73' ' ' LEU . 9.2 mt -80.87 92.38 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.475 HG21 HD12 ' A' ' 10' ' ' LEU . 43.8 t -68.91 -38.69 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.49 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 5.7 tt0 -145.89 158.77 43.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.607 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -142.58 117.79 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.69 21.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.428 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.96 -27.97 12.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.465 HD12 HG13 ' A' ' 84' ' ' VAL . 70.9 mt -65.94 137.73 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.1 t -91.47 126.26 36.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.657 HD23 ' HE2' ' A' ' 80' ' ' PHE . 79.9 mt -110.93 39.36 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 76' ' ' VAL . 76.6 t -111.94 134.87 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.34 37.66 94.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.713 HG21 ' CD2' ' A' ' 80' ' ' PHE . 10.6 m -130.62 145.4 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' GLN . 8.0 t -68.14 141.15 56.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.401 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -35.95 -48.25 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -42.21 -59.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.713 ' CD2' HG21 ' A' ' 76' ' ' VAL . 66.4 t80 -46.23 -56.98 4.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.535 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -53.14 -48.03 68.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.81 -44.53 66.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -64.68 -49.02 72.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.574 HG12 HG11 ' A' ' 68' ' ' VAL . 73.9 t -54.82 -54.75 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.648 HD11 HG21 ' A' ' 26' ' ' ILE . 76.4 mt -54.14 -27.04 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -83.83 -23.33 31.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 88' ' ' THR . 5.5 m-80 -75.11 -45.75 39.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.545 ' HB ' HG22 ' A' ' 92' ' ' VAL . 69.0 p -39.77 160.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 90' ' ' GLY . 10.0 mmtp -132.48 -170.77 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.13 -82.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -81.93 137.74 35.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.566 HG21 HD21 ' A' ' 22' ' ' LEU . 38.6 t -139.27 132.3 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.407 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -102.79 104.71 15.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.627 ' HZ ' HD22 ' A' ' 22' ' ' LEU . 94.3 m-85 -98.1 121.18 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.1 t -98.85 92.81 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.1 mm -81.66 156.38 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.563 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -116.39 102.49 1.06 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.843 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.54 150.89 20.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.763 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.33 114.76 20.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -76.2 156.77 83.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 179.67 5.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.5 m 70.95 56.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.03 -153.79 13.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 88.79 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.47 1.774 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.5 t -154.64 147.11 24.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -89.1 147.95 23.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -70.38 161.29 30.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.049 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.71 157.26 18.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.47 -153.63 29.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.574 1.172 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -177.8 -60.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.06 109.02 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.08 79.55 0.27 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.784 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -125.36 149.98 47.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.5 tt0 -81.24 94.62 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 66' ' ' VAL . 42.9 mt -93.47 111.24 22.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 23.4 p90 -132.92 132.43 22.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 129.82 12.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.752 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 94' ' ' PHE . 31.4 t -119.2 123.25 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -81.74 136.27 35.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.7 mt -136.28 132.18 35.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.95 98.3 9.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.76 ' HG2' HD23 ' A' ' 22' ' ' LEU . 1.4 mtpt -40.65 159.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 21' ' ' GLY . 12.8 m-20 -122.18 176.44 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -49.18 -22.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 15.7 t0 -100.19 -25.17 14.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 126.46 -141.3 12.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.76 HD23 ' HG2' ' A' ' 17' ' ' LYS . 29.8 mt -63.07 -53.78 48.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.02 43.17 6.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.748 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.3 pt -143.85 165.0 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -119.69 145.58 46.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.983 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.582 HG21 HD11 ' A' ' 85' ' ' LEU . 2.1 pt -118.36 179.29 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.56 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -155.69 139.18 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.23 109.39 3.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.474 ' CG ' HG12 ' A' ' 27' ' ' ILE . 1.6 mmm -129.82 160.85 32.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.0 111.88 3.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.62 HG12 ' H ' ' A' ' 32' ' ' GLY . 1.4 t -80.21 -155.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.62 ' H ' HG12 ' A' ' 31' ' ' VAL . . . -35.92 95.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . -126.28 104.78 8.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -94.98 30.8 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 60.05 54.84 3.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.25 -51.05 0.1 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.576 HD12 ' H ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -113.35 47.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.28 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.83 131.89 48.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.7 mmtm -127.5 110.1 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tp -70.53 116.1 10.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.5 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -96.55 121.71 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.8 111.09 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.56 ' HB2' HG23 ' A' ' 27' ' ' ILE . 77.0 m-85 -109.02 164.79 12.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.894 HG23 ' OD1' ' A' ' 63' ' ' ASP . 44.2 t -88.42 106.15 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -58.32 -42.2 86.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.58 ' HA ' HG22 ' A' ' 61' ' ' VAL . 6.7 t -170.83 176.44 4.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.534 HG23 HG22 ' A' ' 61' ' ' VAL . 88.2 t -129.38 123.75 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -59.58 134.77 57.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.97 108.28 5.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.67 14.93 35.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.24 -165.17 37.41 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -81.3 -57.53 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.748 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -56.98 -33.95 67.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -64.81 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -41.02 -46.64 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -60.42 -49.02 79.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 90.07 -36.77 3.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -38.38 -67.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.276 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.8 mt -67.43 136.12 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 10.3 mm-40 -120.35 177.08 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.352 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.0 t -84.96 147.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 12.8 m-80 78.29 2.7 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.894 ' OD1' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -64.99 179.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.46 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 13.3 tt0 -131.71 113.98 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.67 ' CG2' HD12 ' A' ' 73' ' ' LEU . 10.6 mt -85.14 86.71 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.568 HG13 HG21 ' A' ' 74' ' ' VAL . 53.2 t -63.85 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 2.5 tt0 -145.68 159.5 43.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -143.36 113.29 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 93' ' ' ARG . 12.2 t0 57.43 26.58 12.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 102.58 -27.35 20.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.653 HG21 HG21 ' A' ' 84' ' ' VAL . 97.6 mt -65.91 141.52 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -96.91 121.98 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.67 HD12 ' CG2' ' A' ' 65' ' ' ILE . 14.8 mt -105.53 26.66 9.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.568 HG21 HG13 ' A' ' 66' ' ' VAL . 71.0 t -104.22 132.72 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.41 33.08 83.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.567 HG21 ' CD1' ' A' ' 80' ' ' PHE . 6.0 m -129.29 150.65 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 80' ' ' PHE . 10.2 t -68.51 140.62 55.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -40.83 -35.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.5 -54.27 45.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.567 ' CD1' HG21 ' A' ' 76' ' ' VAL . 22.7 t80 -48.36 -55.08 11.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.67 -47.26 73.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.94 77.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.9 m -61.87 -48.56 79.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.653 HG21 HG21 ' A' ' 71' ' ' ILE . 39.6 t -56.35 -57.61 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 26' ' ' ILE . 57.2 mt -51.63 -25.39 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -86.0 -23.47 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' VAL . 6.2 m-80 -80.62 -35.81 33.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 84' ' ' VAL . 44.0 p -43.59 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 90' ' ' GLY . 2.0 mmpt? -134.19 -169.38 2.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -23.95 -82.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.16 137.67 35.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.528 HG21 HD21 ' A' ' 22' ' ' LEU . 22.8 t -141.02 132.46 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -100.15 124.84 46.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.658 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 80.3 m-85 -114.78 121.04 42.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 95' ' ' VAL . 4.8 t -96.46 91.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.693 HG23 ' OD2' ' A' ' 63' ' ' ASP . 2.3 mm -80.28 154.25 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.655 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -119.97 108.43 1.46 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.784 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -104.98 148.56 26.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 0.746 . . . . 0.0 110.312 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 114.05 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.35 157.43 90.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 177.52 8.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.441 1.758 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -173.16 77.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.17 149.47 5.6 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 169.77 21.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.88 107.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 m -113.14 104.02 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 p -121.66 135.35 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.003 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t 63.03 167.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.85 -156.05 32.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 t -87.43 -45.97 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.761 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -136.79 110.38 8.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.74 77.55 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -116.6 161.71 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.7 tt0 -95.18 96.6 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.616 HD22 ' N ' ' A' ' 10' ' ' LEU . 1.1 mm? -93.86 111.29 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 21.6 p90 -133.95 134.21 22.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.2 Cg_endo -74.99 131.38 14.24 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.423 1.749 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' PHE . 21.8 t -121.45 128.49 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.472 ' CG ' ' NE ' ' A' ' 93' ' ' ARG . 6.9 mt-10 -86.44 145.53 26.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 15' ' ' LEU . 5.8 mt -150.42 135.93 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -104.35 123.3 47.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 88' ' ' THR . 65.9 mttt -56.68 149.22 18.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.7 ' OD2' ' HB2' ' A' ' 52' ' ' ALA . 6.0 m-20 -124.81 176.25 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -39.52 -29.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' ASP . 33.9 t0 -118.43 51.36 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 53.5 -137.15 39.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.726 HD21 HG21 ' A' ' 92' ' ' VAL . 2.8 mt -75.16 -53.0 9.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.3 49.32 3.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.752 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -138.51 152.98 25.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 0.731 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -109.0 140.67 42.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.671 HG21 ' CD1' ' A' ' 85' ' ' LEU . 1.4 pt -116.18 158.39 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.632 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -135.66 135.35 51.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.87 107.93 3.61 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.467 ' CG ' HG12 ' A' ' 27' ' ' ILE . 2.1 mmm -128.64 160.96 30.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -100.91 112.4 4.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.44 1.087 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -96.31 135.83 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.79 75.03 0.08 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.26 100.76 7.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -94.0 27.41 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 63.06 51.77 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.93 -49.88 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.99 39.84 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -63.37 126.45 27.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HD2' HG12 ' A' ' 74' ' ' VAL . 7.7 mttt -127.59 99.4 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.455 HD12 ' HA2' ' A' ' 30' ' ' GLY . 5.4 tp -59.27 129.04 40.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.411 ' HA3' HG21 ' A' ' 31' ' ' VAL . . . -106.37 126.0 8.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.408 HG13 ' HB2' ' A' ' 81' ' ' ALA . 26.7 mm -87.72 100.16 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.632 ' HB2' HG23 ' A' ' 27' ' ' ILE . 88.9 m-85 -101.95 163.85 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.591 HG21 ' OD2' ' A' ' 63' ' ' ASP . 21.3 t -92.1 101.67 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -55.45 -42.76 74.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.776 ' HA ' HG22 ' A' ' 61' ' ' VAL . 3.6 t -170.75 171.4 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.579 HG22 HG22 ' A' ' 24' ' ' ILE . 86.6 t -125.41 123.22 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -50.91 138.71 18.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -72.22 115.74 11.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 37.57 16.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.36 -169.57 28.01 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.7 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . . . -80.01 -38.99 30.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.752 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -74.94 -33.01 61.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -66.58 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -42.52 -37.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -56.59 -56.59 19.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.45 -36.0 4.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.506 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -47.31 -72.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 0.805 . . . . 0.0 110.279 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.9 mt -67.8 131.75 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 12.8 mt-30 -130.44 150.76 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.776 HG22 ' HA ' ' A' ' 46' ' ' THR . 90.2 t -42.35 150.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 9.8 m-80 76.97 0.7 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.977 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -64.22 142.11 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.479 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 32.0 tt0 -110.01 106.61 16.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.742 HG22 HD12 ' A' ' 73' ' ' LEU . 11.9 mt -79.37 88.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.89 -36.79 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.5 tt0 -144.26 158.64 43.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.585 HG23 ' CG2' ' A' ' 65' ' ' ILE . 1.2 t -143.35 117.66 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 53.06 21.16 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.76 -28.58 11.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.522 HG21 ' CG2' ' A' ' 84' ' ' VAL . 36.0 mt -66.03 136.16 27.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -89.56 136.5 32.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.742 HD12 HG22 ' A' ' 65' ' ' ILE . 57.9 mt -121.54 41.88 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 76' ' ' VAL . 91.6 t -110.88 131.59 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.09 32.27 81.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 74' ' ' VAL . 4.4 m -118.2 145.85 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.746 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' GLN . 3.1 t -68.79 140.52 55.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' THR . 4.4 tt0 -38.68 -42.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -51.69 -58.2 7.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 4.6 t80 -45.08 -54.9 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.408 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -52.91 -57.95 8.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' ALA . . . -40.02 -50.76 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' ASN . 85.7 m -55.22 -51.95 64.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.581 HG12 HG11 ' A' ' 68' ' ' VAL . 25.0 t -53.17 -57.76 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.671 ' CD1' HG21 ' A' ' 26' ' ' ILE . 33.7 mt -58.26 -19.92 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.43 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 1.7 ttt180 -89.28 -25.6 21.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.0 m-80 -81.73 -35.71 29.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.476 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 1.9 p -40.11 161.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.579 ' O ' ' C ' ' A' ' 90' ' ' GLY . 5.7 mmpt? -133.17 -170.61 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -20.27 -82.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -80.68 140.19 35.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.726 HG21 HD21 ' A' ' 22' ' ' LEU . 47.3 t -141.61 117.97 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.472 ' NE ' ' CG ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -91.57 110.99 22.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.597 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 97.2 m-85 -104.6 123.71 48.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.6 t -98.81 93.99 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.977 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.4 mm -79.58 156.2 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.595 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -125.66 102.4 0.66 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.798 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -105.38 154.28 20.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.59 123.44 21.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -78.43 157.98 76.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 126.09 9.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.35 80.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.33 168.8 11.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.1 p -135.65 135.37 40.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.7 m -113.12 147.18 37.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -85.06 127.66 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.98 144.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.76 158.57 7.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.68 121.42 45.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -179.59 91.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.58 91.0 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.713 HD23 ' N ' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -127.98 -169.89 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.7 tt0 -115.08 96.05 5.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.685 HD22 HG21 ' A' ' 66' ' ' VAL . 25.8 mt -93.34 110.84 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 21.3 p90 -127.88 132.46 24.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -75.01 130.97 13.76 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' PHE . 40.7 t -122.36 119.07 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.77 134.8 35.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.599 ' CD1' HD12 ' A' ' 59' ' ' ILE . 6.9 mt -135.15 143.26 46.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.1 mt-10 -108.09 109.49 20.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 29.4 mttt -38.5 152.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.832 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 3.0 m-20 -121.76 176.92 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -47.71 -24.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -104.29 -23.11 13.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.38 -132.05 8.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.601 HD22 ' HZ ' ' A' ' 94' ' ' PHE . 22.3 mt -66.2 -52.57 46.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.774 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 24' ' ' ILE . . . 82.05 51.41 4.47 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.686 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 12.7 pt -151.81 152.13 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.69 147.77 31.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 85' ' ' LEU . 1.2 pt -125.81 160.74 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.641 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -135.61 139.96 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.88 117.2 5.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.746 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.7 mmm -135.48 153.53 51.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.598 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -97.4 107.32 3.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.436 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.9 t -86.86 143.79 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 35.48 73.33 0.1 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.75 105.96 17.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -102.97 31.47 4.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 57.61 47.2 16.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.55 -45.29 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.9 mt -106.35 62.39 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.786 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.85 141.77 35.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.0 97.07 4.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -49.47 130.51 20.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.436 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -113.05 120.35 5.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.463 HG13 ' HB2' ' A' ' 81' ' ' ALA . 22.9 mm -86.36 102.73 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.641 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.3 m-85 -102.56 164.06 11.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 61' ' ' VAL . 10.3 t -91.65 104.2 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -56.77 -43.13 80.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.725 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.8 t -170.29 175.24 4.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.41 ' N ' ' OG1' ' A' ' 46' ' ' THR . 70.8 t -123.82 125.27 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -55.51 150.81 11.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.95 111.82 18.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.82 11.67 61.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.68 -170.85 6.46 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.832 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -81.63 -46.27 14.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.686 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -68.19 -34.45 76.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.71 -59.35 5.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -49.98 -51.36 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -46.43 -56.22 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.449 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 92.42 11.42 59.6 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -92.81 -65.92 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' A' ' 15' ' ' LEU . 23.5 mt -68.69 115.78 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 15.6 mm-40 -104.74 174.69 5.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 46' ' ' THR . 52.4 t -74.92 149.42 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 8.9 m-80 76.63 0.52 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 14.6 m-20 -62.64 159.93 15.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 39.2 tt0 -121.35 110.17 15.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.522 ' CG2' HG23 ' A' ' 68' ' ' VAL . 7.8 mt -77.85 88.59 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.685 HG21 HD22 ' A' ' 10' ' ' LEU . 56.2 t -65.0 -38.03 81.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 7.9 tt0 -147.12 155.17 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.84 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -139.97 118.47 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 52.04 21.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.415 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.41 -27.59 15.0 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.581 HG21 ' CG2' ' A' ' 84' ' ' VAL . 42.9 mt -66.81 140.47 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -94.51 128.4 41.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.728 HD21 HG11 ' A' ' 84' ' ' VAL . 17.3 mt -112.13 39.29 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.665 ' O ' HG13 ' A' ' 76' ' ' VAL . 83.1 t -111.38 139.45 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.17 42.71 88.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 74' ' ' VAL . 10.9 m -137.57 145.03 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' GLN . 9.9 t -68.42 143.45 55.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' THR . 13.3 tt0 -37.94 -47.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.44 -57.73 2.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CD1' HG21 ' A' ' 76' ' ' VAL . 8.6 t80 -50.45 -51.93 42.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.29 -51.05 65.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.59 -47.13 28.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 87' ' ' ASN . 82.7 m -57.18 -53.02 62.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.456 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.84 HG12 HG11 ' A' ' 68' ' ' VAL . 99.5 t -52.04 -55.93 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 26' ' ' ILE . 34.9 mt -61.03 -20.13 62.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -88.46 -25.09 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.4 m-80 -81.98 -37.58 26.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 84' ' ' VAL . 6.5 p -37.05 150.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.58 ' O ' ' C ' ' A' ' 90' ' ' GLY . 19.6 mttt -125.17 -171.34 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -20.29 -82.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -82.94 141.43 32.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.527 HG21 HD21 ' A' ' 22' ' ' LEU . 40.9 t -141.12 133.63 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.402 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -104.29 106.27 16.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.623 ' CD1' HG22 ' A' ' 68' ' ' VAL . 95.6 m-85 -100.3 120.6 40.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -100.31 92.7 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.631 HD13 ' N ' ' A' ' 96' ' ' ILE . 2.3 mm -80.38 158.9 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.695 ' C ' HD23 ' A' ' 8' ' ' LEU . . . -122.69 119.45 3.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.713 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -118.44 150.63 39.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.38 125.67 26.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.23 157.84 47.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -168.57 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.9 t -178.08 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -144.61 175.2 24.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.92 43.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.1 p -170.15 147.46 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m -108.94 116.38 31.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -102.58 160.7 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 p -110.39 137.54 47.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.83 -58.33 0.63 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -72.92 144.36 47.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.945 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 7' ' ' GLY . 15.1 m -44.04 -53.97 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.44 66.35 0.55 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -130.73 162.15 30.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -95.32 95.72 8.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.449 HD13 ' HA2' ' A' ' 97' ' ' GLY . 1.4 mm? -93.8 111.16 22.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 19.9 p90 -132.36 135.27 26.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 11' ' ' PHE . 18.1 Cg_endo -75.05 134.66 17.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.534 1.807 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 94' ' ' PHE . 37.4 t -126.39 126.04 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -85.47 147.4 26.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.758 HD22 ' HB1' ' A' ' 52' ' ' ALA . 4.6 mt -150.28 134.11 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -104.09 108.76 20.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.453 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 64.4 mttt -41.63 145.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.686 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -118.65 175.7 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -41.49 -27.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 18' ' ' ASP . 6.0 t70 -118.57 49.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 58.56 -147.93 38.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.642 HD21 HG21 ' A' ' 92' ' ' VAL . 4.5 mt -61.84 -58.46 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.94 52.47 1.18 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.765 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.1 pt -150.86 158.41 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 m -116.03 146.64 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.52 HG21 HD11 ' A' ' 85' ' ' LEU . 1.3 pt -121.97 162.52 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.616 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -136.47 139.52 45.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.55 114.35 4.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.674 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.5 mmm -132.26 152.76 51.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.62 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -93.38 108.59 3.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -86.79 132.73 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.56 91.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.79 106.86 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 0.724 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -109.75 43.55 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 49.01 58.02 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 158.98 -57.59 0.33 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.0 mt -99.41 61.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.89 132.39 50.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -127.51 119.47 26.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -71.75 129.47 38.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' MET . . . -105.46 138.09 14.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.609 HG13 ' HB2' ' A' ' 81' ' ' ALA . 21.6 mm -102.32 96.82 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.616 ' HB2' HG23 ' A' ' 27' ' ' ILE . 90.8 m-85 -100.52 163.36 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.593 HG21 ' OD2' ' A' ' 63' ' ' ASP . 23.1 t -91.32 106.85 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -60.32 -41.14 92.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.731 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.5 t -170.41 174.43 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 24' ' ' ILE . 80.8 t -123.98 126.74 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -54.17 148.83 10.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.45 103.04 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.34 7.74 51.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.02 -174.72 27.57 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.758 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -70.98 -62.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 0.705 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.765 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -53.29 -29.11 31.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -70.74 -62.77 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -56.25 -30.54 62.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -65.58 -51.95 55.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.43 -35.0 4.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.536 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -46.06 -70.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.5 mt -67.56 133.92 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -130.84 148.11 52.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.731 HG22 ' HA ' ' A' ' 46' ' ' THR . 97.0 t -40.97 150.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.0 m-80 76.89 0.41 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.957 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -63.44 142.7 58.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.474 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 36.0 tt0 -109.88 105.42 14.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.641 ' CG2' HG23 ' A' ' 68' ' ' VAL . 7.5 mt -76.86 85.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.556 HG13 HG21 ' A' ' 74' ' ' VAL . 58.9 t -63.18 -38.9 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 9.3 tt0 -143.94 155.56 44.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.641 HG23 ' CG2' ' A' ' 65' ' ' ILE . 1.2 t -140.78 119.71 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 51.44 21.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.411 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 107.92 -28.37 12.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.589 HD12 HG13 ' A' ' 84' ' ' VAL . 68.8 mt -66.05 136.61 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t -92.09 123.02 35.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.581 HD23 ' HE1' ' A' ' 80' ' ' PHE . 45.1 mt -107.58 35.88 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.652 ' O ' HG13 ' A' ' 76' ' ' VAL . 48.6 t -106.82 138.04 34.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.1 42.08 86.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.709 HG21 ' CD1' ' A' ' 80' ' ' PHE . 14.0 m -135.37 144.7 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 80' ' ' PHE . 9.0 t -66.71 138.18 57.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 110.379 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' THR . 8.5 tt0 -36.12 -45.94 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -43.35 -51.29 6.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.709 ' CD1' HG21 ' A' ' 76' ' ' VAL . 45.7 t80 -57.29 -53.31 59.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.609 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -56.19 -45.37 79.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.92 73.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.5 m -62.51 -51.22 68.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.6 HG12 HG11 ' A' ' 68' ' ' VAL . 76.3 t -53.72 -56.77 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.52 HD11 HG21 ' A' ' 26' ' ' ILE . 70.4 mt -52.89 -27.2 17.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -85.17 -23.65 28.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 84' ' ' VAL . 6.5 m-20 -75.77 -41.88 51.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 84' ' ' VAL . 64.2 p -43.81 163.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.597 ' O ' ' C ' ' A' ' 90' ' ' GLY . 6.0 mmtt -134.48 -169.32 2.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.35 -80.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -81.93 138.09 35.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.77 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.642 HG21 HD21 ' A' ' 22' ' ' LEU . 36.9 t -141.28 133.46 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.4 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -104.66 106.97 17.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.62 ' CD1' HG22 ' A' ' 68' ' ' VAL . 99.1 m-85 -100.92 123.37 45.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -99.99 94.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.957 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.7 mm -80.17 156.12 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.578 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -124.83 102.8 0.7 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.821 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -104.56 154.5 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.237 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.62 124.37 23.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -77.12 158.15 80.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.42 9.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -176.86 79.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.045 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.02 157.88 31.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.411 1.07 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.62 3.61 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.445 1.76 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.1 162.73 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.93 134.52 38.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.26 137.06 47.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 0.791 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.57 115.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.95 -79.46 0.84 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.549 1.155 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m 62.04 150.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t 61.7 126.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.506 ' O ' HD22 ' A' ' 8' ' ' LEU . . . -146.33 76.88 0.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.89 HD13 ' C ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -117.87 157.89 25.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 6.9 pt-20 -108.96 111.84 23.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.598 HD23 ' HA2' ' A' ' 97' ' ' GLY . 37.7 mt -99.13 110.39 22.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.55 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 4.6 p90 -126.19 135.57 27.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.5 10.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.6 t -117.99 124.02 72.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -83.76 144.31 29.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 15' ' ' LEU . 7.3 mt -146.71 138.29 24.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -106.92 114.94 29.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 21.9 mttt -41.4 147.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -115.83 175.83 5.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -48.09 -23.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -105.72 -22.17 13.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 121.41 -137.0 11.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 93.1 mt -59.24 -57.66 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.18 51.08 3.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.739 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 1.2 pt -152.31 163.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.9 m -113.89 152.86 30.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.648 HG21 ' CD1' ' A' ' 85' ' ' LEU . 2.8 pt -130.34 158.22 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.478 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.4 OUTLIER -138.88 137.88 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.95 112.66 4.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.2 mmm -131.13 162.67 29.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.489 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -103.82 116.61 5.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.4 t -98.44 140.34 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 35.74 74.57 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.89 111.76 24.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -105.27 40.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 47.63 59.02 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.77 -49.05 0.62 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.4 mt -101.32 61.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 0.804 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -100.9 142.73 31.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HD2' HG12 ' A' ' 74' ' ' VAL . 2.3 mmtt -127.85 97.48 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD12 ' HA2' ' A' ' 30' ' ' GLY . 5.7 tp -54.32 124.37 15.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -103.46 121.83 7.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.518 HG13 ' HB2' ' A' ' 81' ' ' ALA . 25.5 mm -84.06 100.31 7.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.478 ' HB2' HG23 ' A' ' 27' ' ' ILE . 87.6 m-85 -101.78 163.42 12.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.5 t -93.79 112.36 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -63.42 -40.85 98.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.734 ' HA ' HG22 ' A' ' 61' ' ' VAL . 8.6 t -170.49 179.88 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.437 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 24' ' ' ILE . 92.9 t -127.83 131.72 69.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -63.82 138.21 58.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -76.07 102.39 5.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.52 31.28 5.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.5 -157.67 29.7 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.996 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -89.21 -48.39 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.739 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -65.97 -33.02 74.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -65.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -40.68 -49.26 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.6 -55.28 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 92.63 -0.51 70.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.494 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -76.08 -68.48 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 110.298 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.3 mt -69.07 134.81 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 6.9 mm-40 -118.5 175.49 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' A' ' 46' ' ' THR . 53.1 t -70.62 148.68 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 12.1 m-80 77.5 3.28 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 1.029 ' OD1' HG23 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -61.83 142.48 57.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.506 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 36.6 tt0 -106.61 103.13 12.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.649 ' CG2' HG23 ' A' ' 68' ' ' VAL . 9.2 mt -73.24 84.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.442 HG21 HD22 ' A' ' 10' ' ' LEU . 57.7 t -62.68 -37.15 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 11.1 tt0 -146.12 157.23 43.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.649 HG23 ' CG2' ' A' ' 65' ' ' ILE . 1.2 t -143.18 118.32 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 52.87 20.76 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.415 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.33 -27.83 13.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.438 HG21 HG21 ' A' ' 84' ' ' VAL . 62.0 mt -66.43 136.09 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.02 122.56 34.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.998 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.567 HD23 ' HE1' ' A' ' 80' ' ' PHE . 42.3 mt -106.86 41.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.769 ' O ' HG13 ' A' ' 76' ' ' VAL . 89.6 t -109.4 139.83 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.377 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.416 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 53.23 42.42 63.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 74' ' ' VAL . 5.2 m -131.33 150.03 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.472 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 10.0 t -68.22 140.0 56.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.0 OUTLIER -37.51 -41.07 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.19 -62.27 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.685 ' CD1' HG21 ' A' ' 76' ' ' VAL . 54.5 t80 -40.1 -56.83 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -55.8 -51.52 67.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.01 -46.45 52.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 53.4 m -60.95 -50.38 73.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.556 HG11 HD21 ' A' ' 73' ' ' LEU . 51.2 t -54.15 -56.3 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.648 ' CD1' HG21 ' A' ' 26' ' ' ILE . 50.4 mt -53.13 -25.53 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -86.68 -24.32 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -76.85 -37.79 54.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 84' ' ' VAL . 47.6 p -41.54 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.614 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.3 mmtt -134.84 -172.05 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.614 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.65 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -80.55 138.88 36.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 88' ' ' THR . 31.4 t -142.02 129.63 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 68' ' ' VAL . 1.1 mpp_? -102.86 121.12 41.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.63 ' CD1' HG22 ' A' ' 68' ' ' VAL . 99.2 m-85 -113.71 121.68 44.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.7 t -94.8 94.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 1.029 HG23 ' OD1' ' A' ' 63' ' ' ASP . 3.1 mm -79.61 146.57 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.598 ' HA2' HD23 ' A' ' 10' ' ' LEU . . . -117.96 102.21 0.96 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.89 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -101.25 156.31 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.74 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.506 ' N ' HD13 ' A' ' 8' ' ' LEU . 25.3 tt0 -97.47 131.98 43.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.484 ' CG ' ' OE1' ' A' ' 9' ' ' GLU . 9.5 mtmt -113.37 158.19 39.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.7 22.03 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.7 p -117.28 82.61 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 127.97 -177.0 17.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.07 7.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.4 m -169.14 170.21 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 m -94.15 114.27 26.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.949 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.53 165.65 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.88 -56.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.65 167.29 0.3 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -109.35 113.57 26.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.51 98.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.17 69.25 0.54 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -127.12 146.97 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 1.1 tt0 -81.38 95.68 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.579 HD22 HG21 ' A' ' 66' ' ' VAL . 37.8 mt -93.6 111.09 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.601 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 20.8 p90 -133.05 132.59 22.42 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.28 14.13 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' PHE . 42.2 t -121.5 123.12 68.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -82.15 136.29 35.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.754 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.7 mt -138.94 133.25 31.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.58 120.86 37.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' CD ' ' O ' ' A' ' 89' ' ' LYS . 2.1 mtpt -65.42 132.55 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.8 m-20 -110.08 176.28 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -39.55 -29.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' ASP . 13.9 t70 -111.74 52.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 49.98 -133.23 28.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.665 HD22 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -78.59 -52.59 8.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.41 41.51 3.92 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.673 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -137.64 156.34 32.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -111.93 156.86 21.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.634 HG21 ' CD1' ' A' ' 85' ' ' LEU . 1.7 pt -127.81 177.79 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.575 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -153.26 139.18 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.09 109.93 3.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.496 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.6 mmm -128.19 158.51 37.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' HA2' HD12 ' A' ' 40' ' ' LEU . . . -105.31 111.28 3.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.434 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.1 t -92.04 139.45 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.444 ' O ' HD12 ' A' ' 37' ' ' LEU . . . 36.84 59.02 1.13 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.68 101.09 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.13 35.64 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.83 55.74 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.0 -39.79 0.13 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -112.71 28.56 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.42 96.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -127.57 99.6 5.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 29' ' ' MET . 7.4 tp -61.38 131.02 48.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.434 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -107.37 116.97 5.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.426 HG13 ' HB2' ' A' ' 81' ' ' ALA . 27.0 mm -83.92 101.76 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.575 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.6 m-85 -101.96 163.91 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 61' ' ' VAL . 12.5 t -89.52 104.56 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -55.14 -45.24 75.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.694 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.4 t -170.53 179.39 3.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.619 HG22 HG22 ' A' ' 24' ' ' ILE . 65.2 t -131.29 129.8 62.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -61.9 134.3 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.89 110.07 5.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.85 33.01 9.35 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.45 -158.48 30.79 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -88.59 -49.95 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.754 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -64.37 -36.58 84.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -65.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -41.87 -44.38 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -47.56 -55.87 8.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.18 -4.09 77.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.441 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.0 -64.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.341 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.481 ' CD1' HD12 ' A' ' 15' ' ' LEU . 5.8 mt -68.89 131.47 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 7.3 mm-40 -119.16 174.99 6.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.694 HG22 ' HA ' ' A' ' 46' ' ' THR . 54.0 t -79.03 148.23 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 10.1 m-80 77.2 0.8 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.439 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 15.7 m-20 -63.12 172.14 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -128.26 109.87 11.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.46 ' CG2' HG23 ' A' ' 68' ' ' VAL . 57.6 mt -80.92 86.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.597 HG13 HG21 ' A' ' 74' ' ' VAL . 54.6 t -62.45 -39.32 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 4.7 tt0 -146.5 156.88 43.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.646 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -142.02 114.69 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 69' ' ' ASP . 16.4 t0 55.81 28.12 11.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.31 -26.15 25.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.797 HD12 HG13 ' A' ' 84' ' ' VAL . 85.3 mt -67.05 139.62 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.404 ' C ' HD23 ' A' ' 73' ' ' LEU . 3.1 t -95.15 120.34 35.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.971 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.451 HD12 ' CG2' ' A' ' 65' ' ' ILE . 9.3 mt -104.6 27.13 8.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.597 HG21 HG13 ' A' ' 66' ' ' VAL . 77.4 t -104.51 137.07 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.24 33.19 79.21 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 74' ' ' VAL . 12.0 m -127.7 148.99 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.777 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.463 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 6.8 t -69.46 144.39 53.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' THR . 32.0 tt0 -38.57 -48.93 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.32 -61.69 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.578 ' CD1' HG21 ' A' ' 76' ' ' VAL . 36.1 t80 -43.26 -58.14 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -55.36 -48.45 74.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.487 ' O ' ' CG ' ' A' ' 86' ' ' ARG . . . -55.16 -45.24 75.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -57.92 -55.51 33.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.797 HG13 HD12 ' A' ' 71' ' ' ILE . 60.5 t -54.48 -62.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.634 ' CD1' HG21 ' A' ' 26' ' ' ILE . 23.7 mt -53.29 -18.26 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -93.39 -19.22 21.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.255 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.56 ' OD1' ' C ' ' A' ' 87' ' ' ASN . 34.3 p30 -106.26 11.95 30.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.73 ' HB ' HG21 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -67.16 141.83 57.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' ' C ' ' A' ' 90' ' ' GLY . 2.1 mmtt -99.25 -179.67 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -28.81 -84.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -82.37 133.28 35.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.73 HG21 ' HB ' ' A' ' 88' ' ' THR . 23.0 t -133.37 127.91 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 68' ' ' VAL . 0.2 OUTLIER -94.01 121.06 35.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.665 ' CZ ' HD22 ' A' ' 22' ' ' LEU . 89.2 m-85 -110.48 120.77 43.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 95' ' ' VAL . 6.0 t -97.34 91.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.68 HD13 ' N ' ' A' ' 96' ' ' ILE . 1.8 mm -80.92 154.04 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.689 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -117.18 109.14 1.83 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.731 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -100.35 139.16 36.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.59 112.62 5.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -74.08 158.36 85.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 129.16 12.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.767 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.9 p -157.73 81.17 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.05 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.73 156.66 10.68 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.02 15.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.82 153.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.4 m -98.93 136.99 38.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.21 141.72 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -153.67 159.2 41.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -155.31 -77.53 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER 58.38 -87.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' GLY . 88.6 p -44.32 96.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -130.58 93.03 0.3 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 98' ' ' ARG . 0.2 OUTLIER -126.77 -171.8 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 2.1 tt0 -104.94 94.47 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.617 HD22 HG21 ' A' ' 66' ' ' VAL . 21.7 mt -94.51 110.24 22.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 10.9 p90 -124.9 133.86 25.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.25 17.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.545 1.813 . . . . 0.0 110.99 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 94' ' ' PHE . 43.8 t -127.46 118.29 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.14 139.19 34.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.632 HD11 ' HA ' ' A' ' 53' ' ' ALA . 3.6 mt -139.14 140.45 37.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 4.2 mt-10 -109.82 106.76 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.446 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 68.3 mttt -39.66 156.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.676 ' OD2' ' HB2' ' A' ' 52' ' ' ALA . 6.3 m-20 -129.9 176.35 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 20' ' ' ASP . 0.8 OUTLIER -40.75 -29.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 5.8 t0 -120.92 49.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 58.91 -142.93 45.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.565 1.165 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 1.2 mt -74.14 -56.32 5.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.0 49.25 1.94 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.732 HG22 HG22 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -141.85 152.6 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 m -107.07 155.52 19.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.666 HG21 HD11 ' A' ' 85' ' ' LEU . 1.4 pt -133.05 157.09 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.546 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -133.85 142.9 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.62 117.52 5.82 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.755 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -133.67 156.2 48.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 111.003 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.579 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -97.59 103.91 2.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.458 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -84.83 141.09 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 35.93 79.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.22 94.53 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -77.16 -64.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -178.85 36.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 157.54 -24.3 0.44 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 37' ' ' LEU . 4.5 pp -97.96 36.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -76.64 127.38 32.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -121.54 96.87 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -53.41 131.16 37.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.32 120.35 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.591 HG13 ' HB2' ' A' ' 81' ' ' ALA . 20.8 mm -84.14 99.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.546 ' HB2' HG23 ' A' ' 27' ' ' ILE . 93.9 m-85 -99.56 163.9 12.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 61' ' ' VAL . 11.3 t -90.36 110.49 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -61.07 -45.64 93.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.672 ' HA ' HG22 ' A' ' 61' ' ' VAL . 2.8 t -170.21 171.6 6.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.732 HG22 HG22 ' A' ' 24' ' ' ILE . 95.0 t -123.59 122.42 64.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -51.86 137.74 25.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -69.79 94.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.84 40.71 2.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.76 -171.96 29.08 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.676 ' HB2' ' OD2' ' A' ' 18' ' ' ASP . . . -75.33 -45.02 42.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.715 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -69.33 -31.8 70.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.48 -65.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 mtm180 -40.6 -43.97 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -51.81 -55.98 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.68 -3.51 71.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.469 ' CA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -82.23 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.453 ' CD1' HD12 ' A' ' 15' ' ' LEU . 11.1 mt -67.85 123.6 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 3.0 mm-40 -112.87 175.24 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.672 HG22 ' HA ' ' A' ' 46' ' ' THR . 53.0 t -78.19 148.2 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.3 m-80 77.23 0.16 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.354 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 16.1 m-20 -61.91 171.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 31.9 tt0 -129.52 110.87 12.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.554 ' CG2' HG23 ' A' ' 68' ' ' VAL . 12.6 mt -81.04 88.06 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.617 HG21 HD22 ' A' ' 10' ' ' LEU . 44.5 t -64.13 -39.84 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 9.4 tt0 -143.83 158.65 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.686 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -143.74 118.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.2 21.25 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.404 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.12 -27.42 14.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.433 1.083 . . . . 0.0 111.057 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.589 HD12 HG13 ' A' ' 84' ' ' VAL . 64.5 mt -66.4 136.43 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.1 t -92.45 124.12 36.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 110.014 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.669 HD23 ' HE2' ' A' ' 80' ' ' PHE . 75.8 mt -107.99 43.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.753 ' O ' HG13 ' A' ' 76' ' ' VAL . 97.5 t -111.87 139.47 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.49 41.8 64.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.753 HG13 ' O ' ' A' ' 74' ' ' VAL . 11.9 m -133.86 145.19 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 78' ' ' GLN . 10.0 t -68.24 140.87 56.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 77' ' ' THR . 12.1 tt0 -37.23 -45.0 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -44.18 -55.45 4.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.736 ' CD2' HG21 ' A' ' 76' ' ' VAL . 68.7 t80 -49.9 -56.36 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.591 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.75 -47.36 73.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.49 -43.33 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.6 m -64.49 -49.42 71.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.686 HG12 HG11 ' A' ' 68' ' ' VAL . 96.5 t -54.05 -57.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.666 HD11 HG21 ' A' ' 26' ' ' ILE . 66.3 mt -52.58 -28.13 19.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -83.83 -22.38 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' VAL . 1.5 m-80 -79.42 -45.8 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.485 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 9.9 p -38.07 155.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.587 ' O ' ' C ' ' A' ' 90' ' ' GLY . 1.0 OUTLIER -128.65 -170.42 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -19.79 -80.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.85 138.95 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.649 HG11 ' CZ ' ' A' ' 94' ' ' PHE . 40.1 t -141.18 132.84 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 103.47 13.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.649 ' CZ ' HG11 ' A' ' 92' ' ' VAL . 99.3 m-85 -99.33 121.75 41.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.5 t -101.07 92.68 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.587 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.6 mm -80.31 157.08 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.485 ' C ' HD23 ' A' ' 8' ' ' LEU . . . -121.04 121.77 4.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.622 ' N ' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -115.59 144.33 44.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.776 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.94 108.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -67.61 157.99 84.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 179.84 5.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.456 1.766 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 t -164.36 77.26 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.21 159.34 15.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.137 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 166.25 29.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 149.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.035 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.0 t -100.96 147.93 25.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.053 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -114.81 156.27 25.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.992 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -77.29 102.48 6.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.54 -144.64 4.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m 63.8 153.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.048 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.4 p -39.21 140.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.13 74.4 0.44 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.773 HD13 ' C ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -126.13 155.0 42.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -90.29 97.73 11.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -94.98 110.9 22.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.6 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.35 136.12 28.16 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.4 Cg_endo -74.99 134.96 18.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 94' ' ' PHE . 24.6 t -127.49 122.47 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.01 136.12 34.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.856 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.8 mt -143.07 128.52 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -95.47 127.54 41.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 40.9 mttt -62.75 149.96 42.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.65 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -121.46 175.44 6.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ASP . 10.2 pt-20 -38.69 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ASP . 5.3 t70 -119.16 53.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 56.15 -148.81 28.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -68.02 -56.55 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.3 38.04 2.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.897 HG22 HG22 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -132.35 156.48 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 m -113.62 156.1 24.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.543 HG21 HD11 ' A' ' 85' ' ' LEU . 1.9 pt -124.94 171.9 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.428 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -148.73 143.53 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.51 112.14 4.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.7 mmm -133.66 158.76 42.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -109.43 112.29 3.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -96.65 141.59 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.66 60.56 0.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.463 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -75.32 100.74 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.572 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 1.7 m-20 -87.89 46.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 34' ' ' ASP . . . 75.85 -75.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.34 -18.75 8.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.7 mt -101.2 61.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 13.2 pt-20 -101.7 155.56 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.29 98.52 5.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 76' ' ' VAL . 5.2 tp -55.86 112.39 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -92.1 114.49 4.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 73' ' ' LEU . 18.6 mm -83.27 99.87 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.452 0.737 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 63' ' ' ASP . 86.6 m-85 -98.7 163.49 12.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -87.63 110.42 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 tptt -61.84 -42.5 99.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.656 ' HA ' HG22 ' A' ' 61' ' ' VAL . 4.1 t -170.36 172.65 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.897 HG22 HG22 ' A' ' 24' ' ' ILE . 92.8 t -127.22 125.37 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.3 m -51.15 138.69 19.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -71.37 99.81 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.0 28.16 9.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -90.05 -168.46 42.86 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.65 ' HB2' ' OD1' ' A' ' 18' ' ' ASP . . . -72.35 -59.28 2.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.856 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -61.29 -24.85 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -65.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -47.56 -47.29 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -49.0 -55.74 11.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.9 -32.37 6.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -49.6 -70.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.422 ' CD1' HD12 ' A' ' 15' ' ' LEU . 7.9 mt -66.48 129.64 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -125.54 167.89 14.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.656 HG22 ' HA ' ' A' ' 46' ' ' THR . 74.5 t -68.19 151.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 14.4 m-80 79.06 -1.07 2.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.473 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 22.1 m-20 -66.38 170.57 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 16.8 tt0 -129.28 123.63 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.773 HG21 HD12 ' A' ' 73' ' ' LEU . 27.1 mt -91.71 94.66 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.7 t -74.94 -40.04 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.1 tt0 -146.16 148.31 32.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.615 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -132.9 108.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.59 11.73 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' O ' ' CD ' ' A' ' 67' ' ' GLU . . . 113.15 -12.59 24.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.456 HG21 ' CG2' ' A' ' 84' ' ' VAL . 58.3 mt -85.95 129.81 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.67 122.74 23.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.773 HD12 HG21 ' A' ' 65' ' ' ILE . 13.6 mt -104.56 -6.64 20.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.0 p -92.9 144.14 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.412 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 69.15 31.28 71.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.651 HG21 ' CD1' ' A' ' 80' ' ' PHE . 4.1 m -135.33 156.25 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 80' ' ' PHE . 9.8 t -68.36 138.75 55.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -41.2 -33.34 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.82 -52.23 65.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.651 ' CD1' HG21 ' A' ' 76' ' ' VAL . 8.3 t80 -51.98 -54.76 25.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.512 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -55.8 -40.87 73.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.9 88.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -68.09 -45.22 74.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.763 HG11 HD21 ' A' ' 73' ' ' LEU . 70.5 t -59.4 -56.04 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.543 HD11 HG21 ' A' ' 26' ' ' ILE . 22.1 mt -54.1 -22.51 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -87.02 -15.68 37.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 84' ' ' VAL . 4.1 m-80 -91.15 -38.47 12.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 84' ' ' VAL . 44.6 p -39.3 159.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.0 OUTLIER -129.01 178.09 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -15.51 -85.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.78 126.28 30.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.483 ' HB ' ' CE2' ' A' ' 94' ' ' PHE . 34.0 t -127.37 132.96 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.431 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -99.26 104.04 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.615 ' CD1' HG22 ' A' ' 68' ' ' VAL . 98.0 m-85 -99.73 122.39 42.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.9 t -98.03 93.99 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.6 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.4 mm -79.61 151.09 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.596 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -119.95 102.57 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.773 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -103.74 148.19 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' HG3' HD21 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -69.01 125.2 25.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -81.99 157.52 68.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 128.09 11.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.3 m -129.5 75.25 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 118.13 157.91 10.73 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 166.1 29.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.88 130.64 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.3 t -111.07 123.72 50.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -105.08 150.5 24.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 0.722 . . . . 0.0 110.034 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -178.62 125.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.11 -73.85 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.59 -60.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.8 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.58 126.81 4.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.73 69.36 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.784 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -122.62 146.14 47.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.764 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -79.37 94.89 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD22 HG21 ' A' ' 66' ' ' VAL . 46.6 mt -94.65 111.01 22.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.9 p90 -131.84 134.01 24.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' CB ' ' HD3' ' A' ' 93' ' ' ARG . 18.6 Cg_endo -74.93 134.69 18.25 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 94' ' ' PHE . 26.7 t -126.29 126.36 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -84.52 145.49 28.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.741 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.8 mt -151.1 135.0 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -103.48 121.64 43.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.445 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 38.9 mttt -56.19 147.43 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.595 ' OD1' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -120.32 174.79 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -39.39 -29.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' ASP . 15.5 t0 -118.05 53.61 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 55.26 -146.35 29.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 92' ' ' VAL . 3.7 mt -66.65 -57.66 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.9 41.5 2.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.788 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -137.73 161.6 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -113.93 155.63 25.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.774 HG21 ' CD1' ' A' ' 85' ' ' LEU . 3.0 pt -128.8 167.8 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.557 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -147.91 140.57 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.73 111.84 4.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.57 1.169 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.4 mmm -130.56 162.55 29.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -102.94 114.88 5.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.436 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.5 t -96.18 141.0 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.32 53.53 1.3 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -68.28 103.98 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.57 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 16.3 m-20 -90.74 49.18 1.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 34' ' ' ASP . . . 75.09 -75.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.69 -24.21 5.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.9 mt -94.55 58.08 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 17.0 pt-20 -97.7 152.09 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -127.83 98.53 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 5.3 tp -54.05 129.98 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' CD1' ' A' ' 43' ' ' PHE . . . -112.02 123.13 6.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.421 HG13 ' HB2' ' A' ' 81' ' ' ALA . 16.2 mm -85.23 111.73 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.557 ' HB2' HG23 ' A' ' 27' ' ' ILE . 86.2 m-85 -110.99 164.67 12.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.855 HG23 ' OD1' ' A' ' 63' ' ' ASP . 22.0 t -89.4 104.67 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -57.08 -42.7 81.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.598 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.2 t -171.07 177.72 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.706 HG22 HG22 ' A' ' 24' ' ' ILE . 85.6 t -131.18 127.84 61.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.3 m -58.2 143.58 43.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.27 99.47 3.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.31 19.28 19.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.28 -174.67 47.86 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.69 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -71.88 -51.47 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.788 ' HB3' HG23 ' A' ' 24' ' ' ILE . . . -65.76 -27.26 68.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.79 -64.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -50.28 -44.21 53.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -46.06 -49.35 16.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 84.46 -4.73 83.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -82.66 -65.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.556 ' CD1' HD12 ' A' ' 15' ' ' LEU . 5.6 mt -68.6 129.9 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 63' ' ' ASP . 9.4 mm-40 -116.47 177.5 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 46' ' ' THR . 55.9 t -83.02 146.21 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.2 m-80 77.73 11.49 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.855 ' OD1' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -73.4 175.93 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.42 ' N ' ' CG ' ' A' ' 63' ' ' ASP . 31.3 tt0 -131.17 115.91 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.583 ' CG2' HD12 ' A' ' 73' ' ' LEU . 6.9 mt -85.39 89.96 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.565 HG21 HD22 ' A' ' 10' ' ' LEU . 47.6 t -68.09 -37.08 77.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 5.7 tt0 -147.41 159.18 43.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.666 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -143.95 117.86 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.65 20.16 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.409 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.26 -28.41 11.02 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 48.1 mt -66.12 140.24 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -93.0 123.22 36.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.805 HD21 HG11 ' A' ' 84' ' ' VAL . 69.7 mt -106.93 34.64 3.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.766 ' O ' HG13 ' A' ' 76' ' ' VAL . 87.2 t -106.28 141.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 52.5 44.71 59.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.766 HG13 ' O ' ' A' ' 74' ' ' VAL . 5.9 m -133.77 147.95 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.434 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 7.5 t -68.25 143.5 55.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' THR . 0.1 OUTLIER -38.31 -47.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -46.31 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.583 ' HE1' HD23 ' A' ' 73' ' ' LEU . 25.7 t80 -37.41 -53.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.21 -58.36 7.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.86 -52.01 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' ASN . 57.8 m -56.34 -51.66 67.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.805 HG11 HD21 ' A' ' 73' ' ' LEU . 54.8 t -51.87 -55.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.774 ' CD1' HG21 ' A' ' 26' ' ' ILE . 68.1 mt -60.6 -24.24 65.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 86' ' ' ARG . 1.6 ttt180 -83.6 -27.86 28.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 83' ' ' THR . 6.6 m-80 -74.75 -48.4 25.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 84' ' ' VAL . 76.0 p -36.48 151.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.608 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.2 OUTLIER -121.83 -172.77 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -18.03 -81.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -77.73 137.53 38.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.644 HG21 HD21 ' A' ' 22' ' ' LEU . 46.7 t -140.41 131.22 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.417 ' HD3' ' CB ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -102.69 107.48 18.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.613 ' CD1' HG22 ' A' ' 68' ' ' VAL . 95.0 m-85 -101.27 123.68 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 95' ' ' VAL . 4.3 t -100.14 93.28 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.724 HG23 ' OD2' ' A' ' 63' ' ' ASP . 2.7 mm -80.41 152.08 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.627 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -117.04 105.85 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.784 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -99.5 146.54 26.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 110.323 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.36 116.2 11.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -73.33 158.31 86.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 128.17 11.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 t -143.0 76.93 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.32 159.12 8.18 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.94 4.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.4 t 62.37 132.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.33 96.38 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.053 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -123.8 171.04 9.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -134.3 166.99 21.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.66 148.89 5.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -169.21 161.09 10.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -115.32 166.52 11.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.64 -57.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.756 HD23 ' C ' ' A' ' 97' ' ' GLY . 0.2 OUTLIER -115.57 -177.38 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 1.2 tt0 -104.57 98.07 7.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.9 110.45 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 9.3 p90 -126.48 131.71 24.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 120.56 6.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.6 t -111.72 122.85 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.11 145.48 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.78 HD11 ' HA ' ' A' ' 53' ' ' ALA . 1.6 mt -147.07 132.86 18.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -104.68 110.78 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 88' ' ' THR . 51.6 mttt -39.27 154.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.797 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 77.9 m-20 -128.72 175.9 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -41.16 -31.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.263 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.94 47.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 60.47 -141.95 47.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.515 HD21 HG21 ' A' ' 92' ' ' VAL . 4.1 mt -69.69 -57.05 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.36 53.51 1.99 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.643 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -142.72 153.59 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.364 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.445 ' HB2' HG22 ' A' ' 46' ' ' THR . 1.9 m -111.5 138.54 47.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.634 HG21 HD11 ' A' ' 85' ' ' LEU . 2.4 pt -111.36 -177.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -158.04 142.67 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.13 110.92 4.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.8 mmm -129.89 160.74 32.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.36 114.13 4.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -97.14 139.18 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.19 64.42 0.58 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.56 105.28 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.738 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -90.72 -0.7 57.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 34' ' ' ASP . . . 88.66 40.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -167.01 -53.53 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.75 38.7 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -57.02 136.71 56.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -127.33 97.45 4.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 77' ' ' THR . 6.2 tp -56.73 129.88 43.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.45 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -110.42 119.51 5.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.509 HG13 ' HB2' ' A' ' 81' ' ' ALA . 17.2 mm -83.46 111.1 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HB2' HG23 ' A' ' 27' ' ' ILE . 96.1 m-85 -111.25 164.24 13.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 61' ' ' VAL . 40.8 t -88.59 102.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -57.68 -40.98 80.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.736 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.7 t -170.66 170.67 6.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.584 HG22 HG22 ' A' ' 24' ' ' ILE . 86.3 t -126.53 120.29 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.4 m -49.9 134.97 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -71.7 104.54 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.44 26.33 12.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.07 170.88 32.14 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.797 ' HB2' ' CG ' ' A' ' 18' ' ' ASP . . . -57.85 -55.61 32.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.36 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.78 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -56.42 -43.31 79.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.3 -57.2 14.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -43.69 -41.48 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.51 -55.41 35.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.35 -20.21 50.51 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.501 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 3.9 mmm180 -64.58 -63.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 0.724 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -68.26 104.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.85 170.44 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.736 HG22 ' HA ' ' A' ' 46' ' ' THR . 60.3 t -70.14 148.96 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.1 m-80 77.11 0.9 3.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 13.2 m-20 -64.99 170.41 4.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 30.0 tt0 -129.57 112.77 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.676 ' CG2' HD12 ' A' ' 73' ' ' LEU . 6.2 mt -81.9 88.11 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.96 -39.37 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.492 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 8.7 tt0 -146.27 158.83 43.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.633 HG22 ' CD1' ' A' ' 94' ' ' PHE . 1.2 t -144.31 117.75 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 53.65 20.5 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.431 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 108.33 -27.29 14.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.602 HG21 ' CG2' ' A' ' 84' ' ' VAL . 64.6 mt -67.55 136.04 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.776 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.1 122.01 34.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.676 HD12 ' CG2' ' A' ' 65' ' ' ILE . 40.0 mt -105.11 38.01 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.731 ' O ' HG13 ' A' ' 76' ' ' VAL . 68.7 t -109.24 139.64 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 54.54 44.79 78.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.564 1.165 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.823 HG21 ' CD1' ' A' ' 80' ' ' PHE . 4.6 m -136.77 151.24 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.459 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 8.2 t -68.63 141.75 55.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -39.7 -39.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -58.39 6.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.823 ' CD1' HG21 ' A' ' 76' ' ' VAL . 47.0 t80 -44.96 -55.45 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.509 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -54.9 -47.25 74.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.02 76.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.6 m -62.24 -48.64 79.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.611 HG11 HD21 ' A' ' 73' ' ' LEU . 73.1 t -55.43 -56.56 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.634 HD11 HG21 ' A' ' 26' ' ' ILE . 59.0 mt -52.95 -25.47 12.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -86.24 -22.57 26.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' VAL . 1.9 m-80 -77.81 -40.93 38.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 84' ' ' VAL . 59.4 p -42.9 164.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.611 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -137.12 -169.69 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.611 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.17 -82.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -82.88 138.08 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.515 HG21 HD21 ' A' ' 22' ' ' LEU . 23.2 t -142.04 131.94 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 68' ' ' VAL . 23.7 mtm-85 -104.16 118.53 36.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.633 ' CD1' HG22 ' A' ' 68' ' ' VAL . 98.5 m-85 -110.13 117.45 33.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.4 t -95.24 90.83 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.597 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 4.8 mm -80.64 156.31 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.756 ' C ' HD23 ' A' ' 8' ' ' LEU . . . -116.11 112.27 2.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -101.84 143.32 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.39 116.01 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -76.21 157.92 82.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.67 17.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.2 t -159.88 82.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 110.031 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.98 177.44 14.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 178.99 6.53 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.057 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.1 p 179.14 143.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.26 146.87 38.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.979 . . . . . . . . 0 0 . 1 . 018 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 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 p -114.06 172.62 6.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 p -49.78 167.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.04 -141.11 11.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m 64.5 120.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.73 157.86 17.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.13 -69.65 1.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.752 HD13 ' C ' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -110.74 152.17 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 109.351 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 5.0 pt-20 -104.95 114.51 28.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.473 HD13 HG11 ' A' ' 66' ' ' VAL . 14.1 mt -96.66 110.16 22.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 3.0 p90 -125.23 133.2 24.63 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 121.77 6.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.509 HG11 HG13 ' A' ' 59' ' ' ILE . 43.3 t -111.38 124.99 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -84.36 138.58 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.772 HD11 ' HA ' ' A' ' 53' ' ' ALA . 2.8 mt -144.37 137.81 27.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 5.7 mt-10 -106.59 129.25 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 67.1 mttt -59.47 150.14 27.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.5 m-20 -126.0 176.53 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -38.76 -31.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 18' ' ' ASP . 24.4 t0 -117.18 52.93 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 55.12 -145.26 30.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.894 HD21 HG21 ' A' ' 92' ' ' VAL . 2.4 mt -65.24 -57.39 8.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.92 52.73 1.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.738 HG23 ' HB3' ' A' ' 53' ' ' ALA . 0.6 OUTLIER -146.82 155.54 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.749 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.3 m -110.26 149.54 30.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.619 HG21 HD11 ' A' ' 85' ' ' LEU . 2.1 pt -127.81 156.75 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.652 HG23 ' HB2' ' A' ' 43' ' ' PHE . 1.1 tt -134.58 141.86 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' C ' ' HG2' ' A' ' 29' ' ' MET . . . -97.06 118.52 6.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.482 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.6 mmm -136.23 148.36 48.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 0.787 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.622 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -89.79 107.14 3.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.6 t -85.72 145.91 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.73 49.7 1.39 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.41 87.97 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -117.94 38.36 3.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 59.9 56.02 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 168.81 -52.78 0.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.148 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -96.04 35.41 1.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.08 96.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -124.24 100.43 6.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.622 HD22 ' HA2' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -60.07 131.07 49.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -113.72 125.03 6.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.475 HG13 ' HB2' ' A' ' 81' ' ' ALA . 15.1 mm -89.77 106.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.652 ' HB2' HG23 ' A' ' 27' ' ' ILE . 89.9 m-85 -106.19 163.57 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 61' ' ' VAL . 16.8 t -87.72 106.4 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -59.59 -42.43 92.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.695 ' HA ' HG22 ' A' ' 61' ' ' VAL . 3.9 t -170.53 171.94 6.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.442 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.514 HG22 HG22 ' A' ' 24' ' ' ILE . 87.3 t -124.8 119.29 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m -50.36 135.4 21.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.83 97.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.82 11.02 27.41 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.79 170.75 55.08 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -57.9 -57.16 14.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.772 ' HA ' HD11 ' A' ' 15' ' ' LEU . . . -56.86 -35.01 68.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.409 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.2 tm0? -66.22 -60.3 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -48.99 -39.75 27.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -55.19 -54.04 48.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 89.95 -4.02 83.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -79.6 -67.45 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 0.745 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.625 HD12 ' CD1' ' A' ' 15' ' ' LEU . 35.6 mt -68.29 123.29 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 2.8 mm-40 -110.32 175.04 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' A' ' 46' ' ' THR . 51.3 t -76.09 149.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.1 m-80 77.6 0.14 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.443 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 22.6 m-20 -62.28 170.73 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 16.0 tt0 -128.43 112.77 14.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.829 HG22 HD12 ' A' ' 73' ' ' LEU . 19.0 mt -82.66 86.09 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.473 HG11 HD13 ' A' ' 10' ' ' LEU . 60.8 t -64.31 -35.35 73.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 6.0 tt0 -147.83 156.74 43.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.58 ' CG2' ' CD1' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -143.1 114.45 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 69' ' ' ASP . 14.2 t0 56.22 26.79 10.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.411 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 100.85 -25.17 29.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.559 HG21 ' CG2' ' A' ' 84' ' ' VAL . 87.7 mt -68.72 140.66 18.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.532 0.784 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.4 t -94.54 135.05 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.829 HD12 HG22 ' A' ' 65' ' ' ILE . 57.0 mt -117.85 33.65 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 76' ' ' VAL . 95.2 t -107.09 133.8 50.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.16 35.44 91.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 74' ' ' VAL . 11.5 m -130.32 144.14 38.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 80' ' ' PHE . 6.6 t -68.43 140.57 55.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 77' ' ' THR . 1.3 tt0 -38.64 -42.75 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -45.93 -46.9 16.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.596 ' HE1' HD23 ' A' ' 73' ' ' LEU . 37.3 t80 -58.43 -56.66 19.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.475 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -52.74 -46.78 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.19 -44.56 68.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -65.19 -50.01 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.559 ' CG2' HG21 ' A' ' 71' ' ' ILE . 32.5 t -55.01 -58.07 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 26' ' ' ILE . 78.1 mt -51.85 -27.33 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -83.72 -24.18 31.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' VAL . 22.0 m-20 -76.55 -42.38 43.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.617 ' HB ' HG22 ' A' ' 92' ' ' VAL . 70.9 p -40.66 161.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.608 ' O ' ' C ' ' A' ' 90' ' ' GLY . 3.0 mmpt? -134.27 -169.39 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.608 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -17.36 -83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -79.38 138.71 37.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.894 HG21 HD21 ' A' ' 22' ' ' LEU . 60.1 t -141.29 121.53 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.31 113.15 25.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CD1' ' CG2' ' A' ' 68' ' ' VAL . 98.1 m-85 -106.46 117.16 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.3 t -95.17 92.36 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' A' ' 94' ' ' PHE . 2.9 mm -80.94 154.51 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.584 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -119.33 102.89 0.94 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.752 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -110.26 136.52 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.307 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.67 ' N ' HD13 ' A' ' 8' ' ' LEU . 2.1 pt-20 -80.42 133.77 35.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.229 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -128.31 158.46 71.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.93 9.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.0 p -43.46 -41.53 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -128.82 166.43 21.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.89 4.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.5 t -174.65 131.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.2 m -101.5 131.03 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.953 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 111.042 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.17 135.76 33.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -79.79 176.41 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.35 -89.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.12 173.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.032 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.91 133.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.25 77.19 0.25 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -124.7 155.35 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.331 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 2.1 tt0 -89.69 94.86 10.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.604 HD13 ' HA2' ' A' ' 97' ' ' GLY . 2.0 mm? -94.38 110.82 22.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.596 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 15.5 p90 -132.43 134.06 24.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.03 16.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.804 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' PHE . 21.4 t -123.52 126.14 72.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.39 138.51 31.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -141.89 138.25 31.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 18' ' ' ASP . 1.8 mt-10 -108.12 111.44 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 47.7 mttt -42.03 153.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.784 ' CG ' ' HB2' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -123.39 176.59 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.51 -29.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -116.77 47.54 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 61.85 -148.11 47.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.723 HD21 HG21 ' A' ' 92' ' ' VAL . 7.5 mt -66.84 -57.55 6.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.1 47.97 2.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.585 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 4.3 pt -138.2 155.21 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -112.9 147.25 37.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.592 HG21 HD11 ' A' ' 85' ' ' LEU . 2.5 pt -121.33 172.42 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.468 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -150.3 142.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.7 111.23 4.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.155 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' A' ' 40' ' ' LEU . 1.8 mmm -133.23 160.08 38.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.25 113.33 3.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.3 t -96.3 139.51 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' VAL . . . 36.21 54.26 1.25 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -62.74 115.94 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.609 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 5.2 m-20 -105.42 48.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 34' ' ' ASP . . . 77.52 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -118.12 -12.79 7.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 37' ' ' LEU . 3.1 mp -96.49 30.14 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 17.4 pt-20 -75.57 156.62 34.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -127.6 97.15 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 29' ' ' MET . 4.1 tp -55.0 113.67 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' CD2' ' A' ' 43' ' ' PHE . . . -91.95 117.05 5.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 73' ' ' LEU . 21.1 mm -82.82 97.12 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.468 ' HB2' HG23 ' A' ' 27' ' ' ILE . 90.8 m-85 -95.55 164.19 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.8 t -90.87 114.74 28.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -65.38 -43.06 91.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.719 ' HA ' HG22 ' A' ' 61' ' ' VAL . 6.4 t -170.55 179.36 3.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.3 t -130.49 129.89 64.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 m -57.9 137.04 57.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -74.29 107.01 6.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.18 29.58 12.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.46 -154.85 31.4 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.784 ' HB2' ' CG ' ' A' ' 18' ' ' ASP . . . -90.97 -44.34 9.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.585 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -71.19 -37.75 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -64.67 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -45.37 -45.58 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -49.32 -56.68 8.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' A' ' 60' ' ' GLN . . . 93.43 0.89 66.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -83.59 -68.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.339 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.7 mt -68.08 126.61 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 57' ' ' GLY . 6.4 mm-40 -113.38 175.35 5.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' A' ' 46' ' ' THR . 61.7 t -78.07 149.0 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.222 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 11.5 m-80 77.68 -0.41 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.523 ' OD2' HG21 ' A' ' 96' ' ' ILE . 9.7 m-20 -63.3 166.4 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 11.6 tt0 -125.69 122.01 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.792 HG21 HD12 ' A' ' 73' ' ' LEU . 5.8 mt -87.88 91.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.603 HG21 ' CD1' ' A' ' 10' ' ' LEU . 81.0 t -68.89 -37.01 76.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.8 tt0 -151.02 149.42 29.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.68 HG11 HG12 ' A' ' 84' ' ' VAL . 1.2 t -134.02 109.57 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' ARG . 1.7 m-20 62.63 12.46 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.74 -12.49 25.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 55.7 mt -86.23 127.25 40.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.753 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.82 118.7 17.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.792 HD12 HG21 ' A' ' 65' ' ' ILE . 17.3 mt -102.99 17.62 23.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.6 p -112.84 142.12 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.437 ' HA2' ' N ' ' A' ' 40' ' ' LEU . . . 70.04 24.9 76.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.153 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.891 HG21 ' CD1' ' A' ' 80' ' ' PHE . 3.0 m -126.25 154.12 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 0.729 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 80' ' ' PHE . 10.1 t -67.95 140.25 56.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 77' ' ' THR . 1.3 tm0? -36.71 -45.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.52 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.891 ' CD1' HG21 ' A' ' 76' ' ' VAL . 15.5 t80 -38.55 -53.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.514 ' HA ' HD22 ' A' ' 73' ' ' LEU . . . -54.75 -58.53 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -42.45 -52.37 4.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' ASN . 86.9 m -50.83 -54.23 25.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.68 HG12 HG11 ' A' ' 68' ' ' VAL . 95.7 t -50.68 -60.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.592 HD11 HG21 ' A' ' 26' ' ' ILE . 45.9 mt -55.17 -24.02 24.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 0.4 OUTLIER -85.74 -25.1 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' THR . 3.2 m-80 -82.83 -41.05 19.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 84' ' ' VAL . 25.5 p -38.93 159.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.431 1.082 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.619 ' O ' ' C ' ' A' ' 90' ' ' GLY . 26.1 mtmt -131.34 -174.14 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.619 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -16.38 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -76.95 138.11 39.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.723 HG21 HD21 ' A' ' 22' ' ' LEU . 48.9 t -142.29 123.47 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -95.57 115.16 27.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.592 ' CD1' HG22 ' A' ' 68' ' ' VAL . 99.3 m-85 -109.77 123.23 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 95' ' ' VAL . 3.6 t -99.09 92.69 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.596 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 2.6 mm -79.55 151.73 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.609 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -116.97 104.7 1.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.793 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -97.86 142.99 28.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.46 ' HG3' HD21 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -69.18 117.32 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -74.47 157.9 85.75 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 179.75 5.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.11 57.5 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.83 -153.34 6.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 84.87 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.451 1.764 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.9 m -156.7 -58.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 m -76.37 142.79 41.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 110.051 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -97.7 168.69 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 0.82 . . . . 0.0 109.997 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -166.15 151.09 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.28 85.49 0.12 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 t -170.27 132.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.38 145.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.71 -71.34 0.82 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.735 HD13 ' C ' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -112.73 163.08 15.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 6.8 pt-20 -111.22 111.76 23.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.26 110.23 22.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 96' ' ' ILE . 7.1 p90 -124.36 134.53 25.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 122.23 7.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG11 HG13 ' A' ' 59' ' ' ILE . 55.1 t -111.52 123.48 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.55 ' CG ' ' NE ' ' A' ' 93' ' ' ARG . 3.4 mt-10 -85.2 135.18 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.642 HD22 ' HB1' ' A' ' 52' ' ' ALA . 2.9 mt -134.74 144.79 47.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' LYS . 1.5 mt-10 -111.83 105.37 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' HB2' ' HA2' ' A' ' 90' ' ' GLY . 41.3 mttt -38.46 156.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' GLY . 24.8 m-20 -123.18 177.54 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -47.5 -23.6 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -101.71 -24.69 14.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASP . . . 123.68 -135.63 9.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.63 HD22 ' HZ ' ' A' ' 94' ' ' PHE . 53.6 mt -57.63 -55.53 33.62 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 0.794 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' ' 24' ' ' ILE . . . 81.77 50.82 4.79 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.716 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 3.4 pt -153.07 156.86 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 m -110.09 143.48 40.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.029 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.845 HG21 HD11 ' A' ' 85' ' ' LEU . 1.5 pt -121.66 160.6 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.608 HG23 ' HB2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -138.6 141.75 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.64 114.57 5.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.713 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.3 mmm -133.26 154.86 50.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.603 ' HA2' HD22 ' A' ' 40' ' ' LEU . . . -95.27 104.92 3.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' CG2' ' HA3' ' A' ' 41' ' ' GLY . 1.0 OUTLIER -92.42 159.51 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.48 29.39 0.14 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.109 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.484 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . . . -69.07 108.7 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.756 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 3.1 m-20 -93.79 -25.06 17.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 34' ' ' ASP . . . 156.52 -44.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.97 -32.24 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.707 ' O ' HD12 ' A' ' 37' ' ' LEU . 3.7 pp -89.17 40.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' CB ' ' HA ' ' A' ' 33' ' ' ALA . 15.1 pt-20 -79.32 152.79 30.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -124.84 97.23 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.713 HD13 ' O ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -51.18 131.55 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.442 ' HA3' ' CG2' ' A' ' 31' ' ' VAL . . . -114.33 130.17 9.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.513 HG13 ' HB2' ' A' ' 81' ' ' ALA . 12.3 mm -94.86 102.55 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.608 ' HB2' HG23 ' A' ' 27' ' ' ILE . 83.4 m-85 -102.62 164.2 11.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 61' ' ' VAL . 25.2 t -88.78 102.72 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tttp -57.48 -39.4 76.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.61 ' HA ' HG22 ' A' ' 61' ' ' VAL . 5.2 t -170.66 179.49 3.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.415 ' N ' ' OG1' ' A' ' 46' ' ' THR . 91.9 t -130.33 125.6 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 m -59.86 133.01 55.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.86 113.73 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' O ' ' NH1' ' A' ' 55' ' ' ARG . . . 88.36 29.35 19.75 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.13 -164.42 32.33 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.642 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -79.75 -57.47 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.716 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . . . -59.27 -34.38 72.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.8 -58.64 5.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 50' ' ' GLY . 69.7 mtm-85 -49.15 -49.82 40.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -54.88 -53.41 55.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.06 -30.08 7.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.519 ' CZ ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -46.0 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.426 HG13 HG11 ' A' ' 13' ' ' VAL . 14.6 mt -67.87 129.78 32.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -122.64 164.25 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.61 HG22 ' HA ' ' A' ' 46' ' ' THR . 96.8 t -66.28 151.27 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 61' ' ' VAL . 13.9 m-80 78.62 -1.46 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.466 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 18.1 m-20 -64.36 170.86 3.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 35.9 tt0 -128.65 115.69 18.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.705 HG22 HD12 ' A' ' 73' ' ' LEU . 27.2 mt -84.47 91.92 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.55 -38.13 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 68' ' ' VAL . 6.6 tt0 -144.91 160.15 41.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 84' ' ' VAL . 1.1 t -144.66 117.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.02 20.18 2.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 67' ' ' GLU . . . 109.59 -28.11 11.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 56.2 mt -66.02 136.3 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.1 t -87.02 129.25 34.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.97 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.705 HD12 HG22 ' A' ' 65' ' ' ILE . 55.9 mt -113.62 42.04 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.914 ' O ' HG13 ' A' ' 76' ' ' VAL . 61.9 t -111.79 144.03 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.65 44.46 23.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.914 HG13 ' O ' ' A' ' 74' ' ' VAL . 9.8 m -133.08 143.37 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 78' ' ' GLN . 9.8 t -67.81 140.28 56.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' THR . 3.4 tt0 -37.45 -47.37 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -52.98 4.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -52.25 -60.09 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.513 ' HB2' HG13 ' A' ' 42' ' ' ILE . . . -51.85 -48.18 64.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.35 -44.35 62.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.235 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.5 m -62.18 -46.62 88.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.7 HG12 HG11 ' A' ' 68' ' ' VAL . 69.5 t -57.77 -55.76 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.845 HD11 HG21 ' A' ' 26' ' ' ILE . 48.5 mt -53.62 -23.02 9.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -87.77 -25.26 23.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 88' ' ' THR . 13.9 m-20 -80.25 -37.94 31.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.482 ' HB ' ' CG2' ' A' ' 92' ' ' VAL . 15.3 p -38.14 157.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.523 ' O ' ' C ' ' A' ' 90' ' ' GLY . 0.2 OUTLIER -127.23 -166.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.523 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -27.57 -80.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -83.62 140.63 32.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.622 HG21 HD21 ' A' ' 22' ' ' LEU . 40.2 t -141.47 128.82 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.55 ' NE ' ' CG ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -99.94 104.33 15.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.63 ' HZ ' HD22 ' A' ' 22' ' ' LEU . 95.5 m-85 -97.69 117.7 32.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.1 t -93.87 93.83 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.492 ' HB ' ' CZ ' ' A' ' 11' ' ' PHE . 3.4 mm -80.12 155.88 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -126.02 111.74 1.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.735 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -121.45 152.16 39.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 110.347 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.577 ' N ' HD13 ' A' ' 8' ' ' LEU . 2.5 mt-10 -63.14 141.52 58.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -85.29 156.84 59.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 149.83 37.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.1 p -175.23 79.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.029 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 118.7 -150.97 17.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 152.77 41.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.793 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.4 p 179.77 118.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.04 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.5 96.37 7.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.997 . . . . . . . . 0 0 . 1 stop_ save_